data_2n7j_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 2n7j _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.43 ' SD ' ' NZ ' ' A' ' 50' ' ' LYS . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' NZ ' ' SD ' ' A' ' 1' ' ' MET . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.565 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.565 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.673 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.673 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.67 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.566 HG13 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.566 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.679 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.679 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG13 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG13 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.672 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.672 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.564 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.625 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.56 HG13 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.56 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.675 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.772 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.779 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.779 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.563 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.563 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.772 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.454 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.524 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.773 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.773 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' SD ' ' NZ ' ' A' ' 50' ' ' LYS . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' NZ ' ' SD ' ' A' ' 1' ' ' MET . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.565 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.565 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.673 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.673 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.67 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.566 HG13 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.566 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.679 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.679 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG13 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG13 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.672 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.672 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.564 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.564 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.625 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.625 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.56 HG13 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.56 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.675 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.675 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.772 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.779 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.779 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.563 HG13 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' OD1' HG13 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.772 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 40' ' ' ASP . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.524 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 39' ' ' VAL . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 40' ' ' ASP . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.773 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.773 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.681 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.746 HG12 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.746 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.689 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.739 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' OE2' HG22 ' A' ' 6' ' ' VAL . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.74 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.682 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' HG2' ' A' ' 4' ' ' LYS . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' OE2' HG22 ' A' ' 6' ' ' VAL . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.758 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG12 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.742 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.686 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.686 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG2' ' A' ' 4' ' ' LYS . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CD ' ' A' ' 56' ' ' GLU . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.744 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.744 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG13 ' CD ' ' A' ' 56' ' ' GLU . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.764 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.591 HG22 ' HG2' ' A' ' 4' ' ' LYS . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.555 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.64 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.784 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.784 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.625 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' OE2' ' A' ' 15' ' ' GLU . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 6' ' ' VAL . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HG2' ' A' ' 4' ' ' LYS . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.767 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.681 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG12 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.746 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.689 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.739 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' OE2' HG22 ' A' ' 6' ' ' VAL . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.74 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.682 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' HG2' ' A' ' 4' ' ' LYS . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' OE2' HG22 ' A' ' 6' ' ' VAL . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.758 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG12 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.742 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.686 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.686 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG2' ' A' ' 4' ' ' LYS . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CD ' ' A' ' 56' ' ' GLU . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.744 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.744 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG13 ' CD ' ' A' ' 56' ' ' GLU . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.764 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.591 HG22 ' HG2' ' A' ' 4' ' ' LYS . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.555 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.64 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.784 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.784 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.625 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' OE2' ' A' ' 15' ' ' GLU . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 6' ' ' VAL . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HG2' ' A' ' 4' ' ' LYS . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.767 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.681 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.746 HG12 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.746 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.689 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.739 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' OE2' HG22 ' A' ' 6' ' ' VAL . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.74 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.682 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' HG2' ' A' ' 4' ' ' LYS . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' OE2' HG22 ' A' ' 6' ' ' VAL . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.758 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG12 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.742 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.686 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.686 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG2' ' A' ' 4' ' ' LYS . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CD ' ' A' ' 56' ' ' GLU . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.744 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.744 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG13 ' CD ' ' A' ' 56' ' ' GLU . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.764 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.591 HG22 ' HG2' ' A' ' 4' ' ' LYS . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.555 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.64 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.784 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.784 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.625 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' OE2' ' A' ' 15' ' ' GLU . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 6' ' ' VAL . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HG2' ' A' ' 4' ' ' LYS . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.767 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.8 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.672 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 23.4 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.5 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.683 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.563 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.681 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.746 HG12 ' OD1' ' A' ' 8' ' ' ASN . 89.1 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.746 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.0 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.8 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 t -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.6 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.689 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.7 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.739 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HB3' ' HE3' ' A' ' 10' ' ' LYS . 19.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' OE2' HG22 ' A' ' 6' ' ' VAL . 36.0 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.9 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 64.0 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 30.1 mm100 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.0 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG12 ' OD1' ' A' ' 8' ' ' ASN . 94.3 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.74 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.682 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' HG2' ' A' ' 4' ' ' LYS . 62.2 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.7 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.8 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.745 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' OE2' HG22 ' A' ' 6' ' ' VAL . 28.3 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' LYS . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.4 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HE2' ' OE2' ' A' ' 15' ' ' GLU . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.5 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' OE2' ' HE2' ' A' ' 4' ' ' LYS . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.7 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.758 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.3 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 52.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG12 ' OD1' ' A' ' 8' ' ' ASN . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.742 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.686 ' HB2' ' OE1' ' A' ' 56' ' ' GLU . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.2 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.686 ' OE1' ' HB2' ' A' ' 10' ' ' LYS . 7.7 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.59 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.59 HG22 ' HG2' ' A' ' 4' ' ' LYS . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CD ' ' A' ' 56' ' ' GLU . 91.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.766 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 47.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.9 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.1 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.8 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.2 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.1 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.566 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.1 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.3 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.0 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.783 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.7 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.3 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.6 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.783 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 71.1 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.744 HG12 ' OD1' ' A' ' 8' ' ' ASN . 90.4 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.4 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.744 ' OD1' HG12 ' A' ' 6' ' ' VAL . 2.4 m120 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.5 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG13 ' CD ' ' A' ' 56' ' ' GLU . 89.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.764 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 42.2 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.1 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 30.5 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 31.9 mt-10 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 20.5 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.5 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.2 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.2 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.6 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.9 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.591 HG22 ' HG2' ' A' ' 4' ' ' LYS . 61.3 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.555 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.2 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.64 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.784 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.0 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.9 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.8 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.7 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.784 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 60.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 tpp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.3 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.0 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 t -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.3 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.7 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.6 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.6 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.531 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 15.7 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.625 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 48.8 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 29.9 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG22 ' OE2' ' A' ' 15' ' ' GLU . 91.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.6 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 p -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 6' ' ' VAL . 32.2 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.5 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.3 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.4 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.9 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.753 0.311 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -93.75 133.99 36.56 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 30.0 m-85 -119.58 149.55 41.76 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.182 1.393 . . . . 0.0 109.079 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HG2' HG22 ' A' ' 17' ' ' THR . 51.6 mtmt -119.0 145.83 45.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.978 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.1 tp -121.6 126.17 48.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.0 124.84 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 106.619 -1.622 . . . . 0.0 106.619 173.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 92.7 mt -107.22 113.15 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -108.24 72.81 0.86 Allowed 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.01 172.33 35.14 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.953 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.95 -40.63 71.88 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 122.334 1.064 . . . . 0.0 111.57 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -114.44 -21.32 10.41 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 113.05 -1.886 . . . . 0.0 115.425 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.1 tp -121.98 126.67 49.08 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -129.04 137.11 51.11 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.18 36.24 Favored Glycine 0 C--N 1.375 2.731 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.122 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -143.83 151.75 40.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.386 -0.907 . . . . 0.0 110.23 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.0 t -147.74 169.21 20.2 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 HG22 ' HG2' ' A' ' 4' ' ' LYS . 58.4 p -136.15 156.43 48.7 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.634 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 5.4 t -146.9 156.7 43.29 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -102.4 131.47 49.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.03 156.24 39.57 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.916 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.5 m -73.08 -28.8 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -149.89 168.58 23.36 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 121.15 0.5 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.34 81.74 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.815 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -61.06 -44.83 96.79 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -62.32 -41.94 98.96 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.416 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.99 -45.73 63.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.485 1.038 . . . . 0.0 112.293 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -59.36 -42.79 92.39 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.57 74.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.84 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.4 m-85 -64.64 -35.37 80.79 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 118.494 -0.765 . . . . 0.0 112.023 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.4 -34.43 78.16 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.335 0.97 . . . . 0.0 110.055 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -67.83 -46.86 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.311 -0.243 . . . . 0.0 111.21 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.31 -48.44 78.94 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.96 -44.0 82.14 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.033 0.533 . . . . 0.0 112.366 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -65.19 -42.26 93.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.728 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.32 -22.91 66.44 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 118.251 0.478 . . . . 0.0 112.251 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -107.64 5.11 26.57 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 25.28 57.41 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 117.677 1.831 . . . . 0.0 117.677 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD ' ' A' ' 56' ' ' GLU . 92.6 t -105.93 136.79 38.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 123.084 1.421 . . . . 0.0 108.958 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.767 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -146.02 134.78 22.33 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 111.615 -2.539 . . . . 0.0 112.452 -177.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.81 -156.79 18.7 Favored Glycine 0 C--N 1.346 1.105 1 CA-C-N 107.601 -4.363 . . . . 0.0 120.895 -174.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.3 t -98.08 137.04 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 113.12 -1.54 . . . . 0.0 110.386 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -107.9 138.79 43.53 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 p -134.29 152.29 51.73 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 175.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -133.37 133.15 42.09 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -115.04 105.21 12.69 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.67 -28.67 70.09 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.63 76.1 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 118.84 0.745 . . . . 0.0 112.52 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.5 p -107.42 1.39 23.55 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.466 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 32.7 mmtt 52.45 43.08 31.35 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.945 0.879 . . . . 0.0 111.474 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -120.56 130.6 54.28 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.764 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -104.06 138.02 41.18 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 103.602 -2.74 . . . . 0.0 103.602 176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -122.33 138.84 54.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.37 118.7 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -116.38 122.29 44.41 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.839 0.352 . . . . 0.0 110.407 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.767 ' HG2' ' O ' ' A' ' 40' ' ' ASP . 58.3 mt-10 . . . . . 0 C--O 1.249 1.048 0 C-N-CA 123.963 0.905 . . . . 0.0 110.494 -179.045 . . . . . . . . 1 1 . 1 stop_ save_