data_6ut2_residue ############################ # Computer software used # ############################ 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 6ut2 _Structure_validation_residue.Date_analyzed 2020-10-02 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 ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 120.366 0.127 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 . . . . . 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' CD ' ' HZ1' ' C' ' 5' ' ' LYS . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . 0.51 ' HZ1' ' CD ' ' A' ' 36' ' ' GLU . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -58.45 -31.6 67.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 0.0 113.213 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.7 -24.27 65.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.32 55.04 Favored Glycine 0 CA--C 1.537 1.415 0 O-C-N 121.393 -0.817 . . . . 0.0 114.483 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.69 -14.68 61.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -140.43 -27.89 0.73 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -64.91 109.35 2.07 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 121.183 1.811 . . . . 0.0 110.474 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 17.81 44.94 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.094 1.33 . . . . 0.0 115.443 -172.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -138.56 130.06 27.53 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.017 1.727 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -76.8 -178.97 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.971 -1.081 . . . . 0.0 112.859 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.59 -3.74 9.76 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.446 1.498 . . . . 0.0 113.908 171.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -136.38 38.97 2.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.187 1.395 . . . . 0.0 113.873 -169.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -85.59 63.0 7.82 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.707 -1.246 . . . . 0.0 111.866 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 p -120.22 -6.99 9.87 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 tt -155.87 141.82 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.865 1.666 . . . . 0.0 110.06 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 137.29 38.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.559 1.144 . . . . 0.0 111.249 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -67.48 -13.9 62.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.75 -1.219 . . . . 0.0 114.107 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.05 -41.68 73.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.793 0.837 . . . . 0.0 112.952 167.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -85.85 -31.31 22.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.106 1.362 . . . . 0.0 111.729 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.25 -38.79 74.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.506 1.523 . . . . 0.0 113.332 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -43.43 88.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -70.41 -37.05 74.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.696 0.799 . . . . 0.0 111.642 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.5 mt -63.57 -32.77 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.801 1.24 . . . . 0.0 113.277 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.29 4.75 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.92 13.93 58.53 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 119.963 -1.71 . . . . 0.0 114.877 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -68.36 -176.79 0.8 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.753 1.221 . . . . 0.0 112.421 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.075 -1.44 . . . . 0.0 113.062 -176.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.9 62.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.04 7.83 72.1 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -73.18 -25.92 60.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.83 1.815 . . . . 0.0 112.963 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.474 1.91 . . . . 0.0 112.19 -179.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 t -74.94 147.24 41.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.404 0.681 . . . . 0.0 111.088 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -152.59 164.93 36.69 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.282 1.833 . . . . 0.0 110.502 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.38 3.43 34.85 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.443 1.02 . . . . 0.0 114.743 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -157.59 165.53 35.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.849 1.325 . . . . 0.0 112.148 -172.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -55.27 157.58 3.53 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 112.573 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -87.46 168.41 13.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.639 0.776 . . . . 0.0 111.291 164.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.11 140.84 40.38 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 123.952 0.787 . . . . 0.0 112.978 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -153.86 -25.83 0.13 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.587 1.555 . . . . 0.0 113.449 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -74.27 150.33 40.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.369 -0.832 . . . . 0.0 111.916 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HE3' ' CZ ' ' A' ' 13' ' ' TYR . 44.3 pttt -60.1 -41.84 93.39 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.251 -0.906 . . . . 0.0 112.753 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' ' HE3' ' A' ' 12' ' ' LYS . 31.0 m-85 -66.47 -38.1 86.57 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -174.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -78.03 -32.92 51.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.661 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -78.44 -18.76 54.47 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -168.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 tt -93.14 147.97 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.849 1.26 . . . . 0.0 111.378 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.99 138.59 56.02 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.341 -0.85 . . . . 0.0 110.868 174.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -67.17 -17.23 64.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.839 -1.163 . . . . 0.0 114.093 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -65.14 -40.85 94.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.313 0.961 . . . . 0.0 112.62 -173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -65.59 -38.64 90.08 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.47 -0.769 . . . . 0.0 111.492 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.06 -45.74 76.48 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.34 0.656 . . . . 0.0 110.911 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.78 -32.97 74.91 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -69.26 -17.37 63.74 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.061 -1.024 . . . . 0.0 113.709 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.9 mm -84.11 -37.57 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.701 -1.25 . . . . 0.0 112.41 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.484 1.266 0 C-N-CA 128.164 2.585 . . . . 0.0 109.781 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.78 -36.02 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 18.01 36.49 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.3 0.952 . . . . 0.0 114.69 -170.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -80.55 135.06 36.02 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.197 1.399 . . . . 0.0 111.179 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -153.212 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -52.53 -20.51 3.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.28 18.21 62.65 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -82.43 -13.21 57.16 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.988 1.894 . . . . 0.0 114.264 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 C-N-CA 126.649 1.98 . . . . 0.0 112.156 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.685 -0.117 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 p -92.42 -4.88 53.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.608 1.563 . . . . 0.0 113.177 168.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.75 122.53 15.01 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.393 -1.442 . . . . 0.0 111.994 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.62 -20.89 48.61 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.672 1.606 . . . . 0.0 114.382 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -80.6 168.38 18.96 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.604 1.562 . . . . 0.0 113.301 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 56.28 -8.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 129.559 3.144 . . . . 0.0 118.611 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -73.94 14.8 0.35 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.38 2.272 . . . . 0.0 116.452 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.03 174.64 46.44 Favored Glycine 0 CA--C 1.538 1.477 0 CA-C-N 119.061 0.846 . . . . 0.0 112.982 168.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.32 144.39 56.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.574 0.75 . . . . 0.0 112.456 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -148.05 163.09 37.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.359 1.463 . . . . 0.0 111.894 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -162.52 147.66 12.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.482 1.513 . . . . 0.0 112.166 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -112.87 137.55 51.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.832 1.253 . . . . 0.0 112.994 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.77 172.81 12.4 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.634 2.374 . . . . 0.0 107.883 154.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 p -72.0 -177.69 2.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.498 -1.376 . . . . 0.0 112.937 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -57.8 149.24 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.309 1.443 . . . . 0.0 113.473 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.66 171.31 5.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.103 2.161 . . . . 0.0 114.879 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.81 137.26 58.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.724 1.61 . . . . 0.0 113.51 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -31.43 67.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.856 1.262 . . . . 0.0 113.578 -173.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.86 -20.79 65.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.021 1.328 . . . . 0.0 113.39 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.88 -41.2 83.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.52 0.728 . . . . 0.0 111.367 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.37 -26.43 68.75 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.56 -48.15 78.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.666 -1.271 . . . . 0.0 111.012 168.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -69.01 -37.53 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.174 1.389 . . . . 0.0 111.77 -175.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.078 1.751 . . . . 0.0 112.438 173.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.34 -19.25 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.53 93.53 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.772 0.701 . . . . 0.0 113.582 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.4 138.83 37.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.716 -0.873 . . . . 0.0 111.224 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 124.876 1.27 . . . . 0.0 111.92 -172.599 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt -131.96 -0.81 3.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.783 1.233 . . . . 0.0 113.824 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.7 66.98 1.59 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.4 179.1 0.63 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 122.574 1.178 . . . . 0.0 111.862 171.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 43.1 tpt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 115.9 -2.0 . . . . 0.0 110.4 173.406 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.486 ' H1 ' ' CD ' ' A' ' 18' ' ' GLU . 72.6 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 m -116.37 104.84 11.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.419 1.488 . . . . 0.0 110.031 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.15 144.21 54.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.676 1.591 . . . . 0.0 113.849 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.28 77.66 1.01 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.655 1.122 . . . . 0.0 114.157 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.0 155.98 29.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.965 0.906 . . . . 0.0 112.03 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -117.66 -13.82 10.21 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -163.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -75.21 170.67 15.59 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.289 0.95 . . . . 0.0 112.295 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 131.6 52.13 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 161.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.43 136.48 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.021 1.729 . . . . 0.0 110.611 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -69.74 157.58 37.05 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.995 0.518 . . . . 0.0 112.336 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HZ3' ' CD ' ' B' ' 19' ' ' GLU . 39.6 ttmt -60.39 -28.73 68.46 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.797 -1.19 . . . . 0.0 112.306 170.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.18 -38.38 70.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.742 1.617 . . . . 0.0 113.82 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -106.62 -10.39 16.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.664 1.186 . . . . 0.0 113.205 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -73.69 48.92 0.29 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.727 1.611 . . . . 0.0 112.293 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.24 142.26 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.065 1.346 . . . . 0.0 110.319 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 140.3 46.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.321 1.048 . . . . 0.0 113.047 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' CD ' ' H1 ' ' A' ' 2' ' ' SER . 3.2 tp10 -70.85 116.69 11.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.912 1.685 . . . . 0.0 111.776 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -73.81 -9.96 59.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -53.55 -34.43 58.24 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.375 -0.828 . . . . 0.0 111.467 165.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.68 -34.57 78.51 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 112.014 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.56 -35.3 73.01 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.01 -4.21 19.83 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -83.5 -31.93 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.11 -0.994 . . . . 0.0 111.359 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 124.761 1.225 . . . . 0.0 111.85 -175.626 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.424 ' CD ' ' HZ3' ' A' ' 12' ' ' LYS . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.42 -33.47 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 14.19 50.37 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.252 1.406 . . . . 0.0 115.465 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.25 151.39 43.76 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.208 1.504 . . . . 0.0 113.102 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 125.33 1.452 . . . . 0.0 111.007 176.692 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.25 -41.79 65.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.865 1.266 . . . . 0.0 112.366 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . 0.424 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.37 29.22 10.4 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -90.56 136.66 32.92 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.829 1.315 . . . . 0.0 113.718 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 . . . . . 0 C--O 1.248 0.977 0 C-N-CA 123.751 0.82 . . . . 0.0 111.576 161.599 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -66.44 -4.1 7.55 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.225 1.41 . . . . 0.0 114.008 170.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.87 13.07 20.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 113.445 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.53 163.32 39.2 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.275 1.416 . . . . 0.0 113.031 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.53 148.67 49.16 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.131 -1.217 . . . . 0.0 111.81 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 55.84 22.65 5.76 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.032 1.733 . . . . 0.0 114.476 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -141.51 146.03 35.89 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.46 1.904 . . . . 0.0 109.634 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.72 31.71 76.37 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 121.487 -0.758 . . . . 0.0 114.305 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.58 162.39 25.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.258 1.023 . . . . 0.0 112.561 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -71.65 126.35 29.45 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.335 -0.853 . . . . 0.0 111.409 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -58.65 -32.66 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -62.37 -20.04 64.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.155 1.382 . . . . 0.0 114.154 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -91.03 23.62 3.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.234 1.813 . . . . 0.0 112.813 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -142.22 164.57 29.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.06 1.744 . . . . 0.0 112.107 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.56 -58.74 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.698 1.199 . . . . 0.0 113.042 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.71 142.01 53.4 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.193 -0.942 . . . . 0.0 111.812 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -69.9 -9.38 54.73 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.729 -1.232 . . . . 0.0 112.539 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -79.46 -22.06 44.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.483 1.513 . . . . 0.0 113.842 166.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -88.54 -38.0 15.27 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.783 1.233 . . . . 0.0 111.521 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.89 -28.96 17.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.117 1.767 . . . . 0.0 114.823 -170.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -52.72 -52.55 55.76 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.58 1.15 0.61 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.327 2.651 . . . . 0.0 117.828 -166.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.5 mt -107.26 19.1 5.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 125.422 1.489 . . . . 0.0 111.136 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 127.297 2.239 . . . . 0.0 115.119 -177.156 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p -71.26 -6.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -16.25 60.22 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.033 1.302 . . . . 0.0 114.387 166.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -84.33 -6.15 59.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.077 1.438 . . . . 0.0 113.917 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--O 1.245 0.853 0 C-N-CA 126.159 1.783 . . . . 0.0 114.382 -174.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.265 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.39 -32.2 71.08 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.852 0.861 . . . . 0.0 113.141 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.78 13.78 57.96 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.39 165.61 27.04 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.338 1.569 . . . . 0.0 113.445 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.76 1.624 . . . . 0.0 108.33 153.132 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 m -51.96 152.18 3.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.843 1.657 . . . . 0.0 111.59 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 t80 65.27 -12.91 0.13 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.721 2.009 . . . . 0.0 115.498 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.21 153.82 48.01 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.598 -1.314 . . . . 0.0 113.164 169.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.83 141.9 58.61 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -141.78 143.99 33.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.015 2.526 . . . . 0.0 107.691 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 mtm-85 -67.52 138.22 56.37 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.609 0.641 . . . . 0.0 111.037 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.28 85.8 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-O 119.063 -0.854 . . . . 0.0 115.141 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.11 153.76 43.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.551 1.941 . . . . 0.0 110.128 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 t -79.93 148.7 31.13 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.635 -0.666 . . . . 0.0 112.497 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -53.81 -38.6 64.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.516 1.126 . . . . 0.0 113.452 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.51 -17.26 64.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.756 1.222 . . . . 0.0 114.113 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -118.89 10.59 12.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.743 1.617 . . . . 0.0 112.782 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -86.91 127.19 35.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.303 1.041 . . . . 0.0 111.744 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.61 147.11 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.34 1.856 . . . . 0.0 109.304 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -72.17 146.71 47.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.962 1.363 . . . . 0.0 114.493 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -63.66 -37.46 87.43 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.101 1.36 . . . . 0.0 111.79 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 -26.52 68.84 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.499 1.12 . . . . 0.0 113.652 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -77.61 -30.41 52.33 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.908 -1.12 . . . . 0.0 111.419 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -72.52 -39.34 67.65 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.853 0.861 . . . . 0.0 110.792 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.46 -27.86 68.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -18.52 42.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.715 1.206 . . . . 0.0 112.965 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mt -103.48 -5.59 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 126.477 1.911 . . . . 0.0 112.264 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.635 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t -57.64 -26.45 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.64 -17.63 58.06 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 120.321 1.418 . . . . 0.0 116.471 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 129.73 35.62 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.239 1.52 . . . . 0.0 113.205 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 125.545 1.538 . . . . 0.0 112.042 179.608 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -16.78 64.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -170.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.14 25.95 42.44 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -97.26 149.92 21.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.362 1.081 . . . . 0.0 113.479 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.246 0.903 0 C-N-CA 126.972 2.109 . . . . 0.0 113.826 -177.323 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -79.74 -17.15 54.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.26 138.7 58.47 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.295 -0.878 . . . . 0.0 112.931 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.24 -14.2 63.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.3 1.429 . . . . 0.0 115.498 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 125.67 35.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.775 1.287 . . . . 0.0 111.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.63 116.29 24.65 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.132 -0.98 . . . . 0.0 112.266 -171.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -79.74 170.31 16.71 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.177 1.391 . . . . 0.0 111.667 161.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.46 59.1 0.98 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 -164.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -133.13 -27.62 1.6 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.163 2.185 . . . . 0.0 112.534 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 p -50.92 -31.72 18.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 114.459 -173.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -57.1 -26.8 61.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.406 1.083 . . . . 0.0 113.709 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -64.25 -22.48 66.96 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -114.92 25.1 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.313 1.045 . . . . 0.0 112.315 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 p -69.66 -8.54 48.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.98 147.77 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 126.212 1.805 . . . . 0.0 111.887 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 130.58 37.29 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.463 1.105 . . . . 0.0 112.176 166.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -78.82 30.92 0.2 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.86 -42.08 92.88 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.696 -1.252 . . . . 0.0 113.431 -167.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -74.1 -29.1 61.68 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.656 -0.653 . . . . 0.0 112.063 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.86 -49.03 72.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.454 0.702 . . . . 0.0 109.391 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' CD ' ' HZ1' ' C' ' 5' ' ' LYS . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.41 -23.98 63.78 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.33 -37.01 29.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.312 -0.868 . . . . 0.0 112.012 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mm -62.62 -30.67 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 O-C-N 121.297 -0.877 . . . . 0.0 111.967 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.67 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.09 -7.59 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.97 10.76 62.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.826 1.203 . . . . 0.0 115.084 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.92 138.0 57.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.034 1.334 . . . . 0.0 112.548 -171.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -165.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -3.06 24.39 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . 0.51 ' HZ1' ' CD ' ' A' ' 36' ' ' GLU . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.67 34.19 35.83 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 159.94 30.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.959 1.704 . . . . 0.0 111.613 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 125.4 1.48 . . . . 0.0 114.306 -176.336 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -64.04 161.23 16.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.014 1.726 . . . . 0.0 114.92 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -78.17 149.23 33.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.545 1.138 . . . . 0.0 111.432 165.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 153.18 14.41 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.038 0.827 . . . . 0.0 113.028 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -153.86 156.01 36.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.925 1.69 . . . . 0.0 109.744 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 57.52 59.71 3.17 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.456 1.502 . . . . 0.0 112.517 -172.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -78.1 136.38 37.87 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.315 1.446 . . . . 0.0 110.585 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.12 -149.74 50.42 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.824 0.726 . . . . 0.0 113.694 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -84.45 146.99 27.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.871 0.869 . . . . 0.0 111.658 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -73.48 161.87 29.91 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.692 0.797 . . . . 0.0 112.607 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -56.66 -38.67 72.51 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -158.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -104.43 12.55 33.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.584 1.154 . . . . 0.0 113.383 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -83.67 -24.4 31.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.141 1.377 . . . . 0.0 114.686 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -68.27 120.97 15.27 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.552 -0.718 . . . . 0.0 111.391 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -75.12 126.9 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.674 0.79 . . . . 0.0 109.441 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.05 164.12 13.72 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.09 1.356 . . . . 0.0 112.425 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.29 140.36 37.59 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -73.23 -17.38 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -58.56 -27.56 64.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.072 0.949 . . . . 0.0 113.401 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.41 -37.16 82.46 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.82 0.848 . . . . 0.0 112.249 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.11 -14.73 61.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -78.86 -19.64 51.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.137 0.975 . . . . 0.0 113.419 166.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -91.88 -31.53 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.585 1.154 . . . . 0.0 111.735 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 126.329 1.852 . . . . 0.0 111.479 176.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.452 ' HZ1' ' C ' ' B' ' 32' ' ' ARG . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.4 -9.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.94 79.23 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.536 1.541 . . . . 0.0 116.319 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -71.28 -166.38 0.17 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.831 1.253 . . . . 0.0 112.846 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.452 ' C ' ' HZ1' ' B' ' 26' ' ' LYS . 87.3 mmt-85 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 126.576 1.95 . . . . 0.0 109.932 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -48.47 -47.2 38.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.385 1.474 . . . . 0.0 114.356 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.17 17.75 62.17 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -116.65 -161.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.018 1.727 . . . . 0.0 112.531 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.667 1.987 . . . . 0.0 111.736 -167.07 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.1 p 41.86 54.53 3.91 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.382 1.873 . . . . 0.0 114.579 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.43 155.87 31.51 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.19 170.64 15.02 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.815 1.674 . . . . 0.0 113.586 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -47.76 107.2 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.661 1.184 . . . . 0.0 112.562 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 52.57 18.07 0.91 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.942 2.497 . . . . 0.0 115.426 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -69.17 -10.54 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.16 5.0 81.93 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.186 167.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.0 mt -134.36 177.11 8.01 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.442 1.897 . . . . 0.0 112.196 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -53.65 151.61 5.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.477 1.911 . . . . 0.0 114.349 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.47 -22.08 41.44 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -84.98 -12.15 53.91 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.51 -11.31 59.84 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.848 1.204 . . . . 0.0 113.538 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -64.87 -13.61 56.92 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.6 mt -136.12 132.52 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.467 1.507 . . . . 0.0 109.68 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -62.21 153.13 31.34 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.829 1.651 . . . . 0.0 114.348 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -94.75 -21.38 18.78 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.96 -46.3 82.26 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.6 -17.68 62.27 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -85.23 -29.64 24.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.267 1.027 . . . . 0.0 112.674 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.41 -41.64 94.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.58 82.28 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 110.056 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.98 -18.57 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.121 1.768 . . . . 0.0 113.274 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.8 -15.79 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.62 8.48 40.13 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.504 1.526 . . . . 0.0 116.187 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.29 158.92 32.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.238 1.519 . . . . 0.0 112.716 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.605 1.562 . . . . 0.0 112.778 172.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -74.1 -50.68 18.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -149.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.2 76.62 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.4 151.52 46.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.605 1.203 . . . . 0.0 111.253 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.911 -178.372 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.574 0.226 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -145.02 48.97 1.28 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.41 1.084 . . . . 0.0 110.362 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -72.87 123.52 23.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.917 -1.114 . . . . 0.0 111.47 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.62 -148.62 5.65 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.961 1.743 . . . . 0.0 111.511 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -23.14 66.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -77.49 117.41 18.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.542 1.137 . . . . 0.0 110.671 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -91.02 162.93 14.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.05 1.34 . . . . 0.0 112.582 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 33.31 57.35 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 114.691 0.636 . . . . 0.0 114.691 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.6 139.74 55.53 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 117.952 0.876 . . . . 0.0 111.995 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -62.42 154.7 27.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 114.166 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.02 -16.16 28.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.48 1.112 . . . . 0.0 113.871 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -82.41 -18.12 43.04 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.531 1.132 . . . . 0.0 112.857 170.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -83.54 -27.05 29.6 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.606 -1.309 . . . . 0.0 112.333 169.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.8 m -68.67 36.42 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.952 1.701 . . . . 0.0 113.669 168.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.9 122.65 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.057 2.143 . . . . 0.0 108.122 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.83 107.62 6.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -85.52 -10.99 55.24 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -79.49 -42.56 24.96 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.908 0.883 . . . . 0.0 111.793 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.07 -19.89 56.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.305 -0.872 . . . . 0.0 113.069 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.05 -20.31 65.84 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.22 -0.925 . . . . 0.0 113.021 169.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -71.98 -1.08 13.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -75.87 -7.31 54.21 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.754 1.622 . . . . 0.0 113.537 164.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.31 -14.4 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.746 1.619 . . . . 0.0 113.392 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -174.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.98 -27.38 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.78 34.15 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.382 0.515 . . . . 0.0 112.81 -171.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.01 176.12 9.5 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.771 1.628 . . . . 0.0 111.846 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.247 0.948 0 C-N-CA 125.834 1.654 . . . . 0.0 111.797 174.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -48.2 -40.7 25.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.059 1.344 . . . . 0.0 112.453 169.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.35 60.14 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.29 154.48 35.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.019 1.327 . . . . 0.0 111.728 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 125.623 1.569 . . . . 0.0 114.783 -164.584 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 120.366 0.127 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' C' ' 25' ' ' LEU . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' B' ' 26' ' ' LYS . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.457 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 . . . . . 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.427 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -58.45 -31.6 67.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 0.0 113.213 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.7 -24.27 65.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.32 55.04 Favored Glycine 0 CA--C 1.537 1.415 0 O-C-N 121.393 -0.817 . . . . 0.0 114.483 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.69 -14.68 61.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -140.43 -27.89 0.73 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -64.91 109.35 2.07 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 121.183 1.811 . . . . 0.0 110.474 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 17.81 44.94 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.094 1.33 . . . . 0.0 115.443 -172.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -138.56 130.06 27.53 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.017 1.727 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -76.8 -178.97 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.971 -1.081 . . . . 0.0 112.859 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.59 -3.74 9.76 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.446 1.498 . . . . 0.0 113.908 171.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -136.38 38.97 2.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.187 1.395 . . . . 0.0 113.873 -169.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -85.59 63.0 7.82 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.707 -1.246 . . . . 0.0 111.866 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 p -120.22 -6.99 9.87 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 tt -155.87 141.82 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.865 1.666 . . . . 0.0 110.06 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 137.29 38.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.559 1.144 . . . . 0.0 111.249 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -67.48 -13.9 62.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.75 -1.219 . . . . 0.0 114.107 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.05 -41.68 73.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.793 0.837 . . . . 0.0 112.952 167.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -85.85 -31.31 22.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.106 1.362 . . . . 0.0 111.729 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.25 -38.79 74.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.506 1.523 . . . . 0.0 113.332 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -43.43 88.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -70.41 -37.05 74.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.696 0.799 . . . . 0.0 111.642 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.5 mt -63.57 -32.77 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.801 1.24 . . . . 0.0 113.277 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.29 4.75 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.92 13.93 58.53 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 119.963 -1.71 . . . . 0.0 114.877 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -68.36 -176.79 0.8 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.753 1.221 . . . . 0.0 112.421 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.075 -1.44 . . . . 0.0 113.062 -176.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.9 62.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.04 7.83 72.1 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -73.18 -25.92 60.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.83 1.815 . . . . 0.0 112.963 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.474 1.91 . . . . 0.0 112.19 -179.512 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 t -74.94 147.24 41.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.404 0.681 . . . . 0.0 111.088 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -152.59 164.93 36.69 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.282 1.833 . . . . 0.0 110.502 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.38 3.43 34.85 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.443 1.02 . . . . 0.0 114.743 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 51.5 t80 -157.59 165.53 35.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.849 1.325 . . . . 0.0 112.148 -172.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 34.4 ptt85 -55.27 157.58 3.53 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 112.573 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -87.46 168.41 13.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.639 0.776 . . . . 0.0 111.291 164.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.11 140.84 40.38 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 123.952 0.787 . . . . 0.0 112.978 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -153.86 -25.83 0.13 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.587 1.555 . . . . 0.0 113.449 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -74.27 150.33 40.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.369 -0.832 . . . . 0.0 111.916 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 13' ' ' TYR . 44.3 pttt -60.1 -41.84 93.39 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.251 -0.906 . . . . 0.0 112.753 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 12' ' ' LYS . 31.0 m-85 -66.47 -38.1 86.57 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -174.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -78.03 -32.92 51.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.661 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -78.44 -18.76 54.47 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -168.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 tt -93.14 147.97 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.849 1.26 . . . . 0.0 111.378 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.99 138.59 56.02 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.341 -0.85 . . . . 0.0 110.868 174.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -67.17 -17.23 64.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.839 -1.163 . . . . 0.0 114.093 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -65.14 -40.85 94.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.313 0.961 . . . . 0.0 112.62 -173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -65.59 -38.64 90.08 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.47 -0.769 . . . . 0.0 111.492 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.06 -45.74 76.48 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.34 0.656 . . . . 0.0 110.911 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.78 -32.97 74.91 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -69.26 -17.37 63.74 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.061 -1.024 . . . . 0.0 113.709 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.9 mm -84.11 -37.57 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.701 -1.25 . . . . 0.0 112.41 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.484 1.266 0 C-N-CA 128.164 2.585 . . . . 0.0 109.781 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.78 -36.02 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 18.01 36.49 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.3 0.952 . . . . 0.0 114.69 -170.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -80.55 135.06 36.02 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.197 1.399 . . . . 0.0 111.179 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -153.212 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -52.53 -20.51 3.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.28 18.21 62.65 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -82.43 -13.21 57.16 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.988 1.894 . . . . 0.0 114.264 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 C-N-CA 126.649 1.98 . . . . 0.0 112.156 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.685 -0.117 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 p -92.42 -4.88 53.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.608 1.563 . . . . 0.0 113.177 168.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.75 122.53 15.01 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.393 -1.442 . . . . 0.0 111.994 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.62 -20.89 48.61 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.672 1.606 . . . . 0.0 114.382 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -80.6 168.38 18.96 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.604 1.562 . . . . 0.0 113.301 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 56.28 -8.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 129.559 3.144 . . . . 0.0 118.611 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -73.94 14.8 0.35 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.38 2.272 . . . . 0.0 116.452 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.03 174.64 46.44 Favored Glycine 0 CA--C 1.538 1.477 0 CA-C-N 119.061 0.846 . . . . 0.0 112.982 168.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.32 144.39 56.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.574 0.75 . . . . 0.0 112.456 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -148.05 163.09 37.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.359 1.463 . . . . 0.0 111.894 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -162.52 147.66 12.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.482 1.513 . . . . 0.0 112.166 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -112.87 137.55 51.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.832 1.253 . . . . 0.0 112.994 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.77 172.81 12.4 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.634 2.374 . . . . 0.0 107.883 154.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 p -72.0 -177.69 2.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.498 -1.376 . . . . 0.0 112.937 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -57.8 149.24 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.309 1.443 . . . . 0.0 113.473 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.66 171.31 5.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.103 2.161 . . . . 0.0 114.879 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.81 137.26 58.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.724 1.61 . . . . 0.0 113.51 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -31.43 67.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.856 1.262 . . . . 0.0 113.578 -173.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.86 -20.79 65.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.021 1.328 . . . . 0.0 113.39 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.88 -41.2 83.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.52 0.728 . . . . 0.0 111.367 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.37 -26.43 68.75 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.56 -48.15 78.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.666 -1.271 . . . . 0.0 111.012 168.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -69.01 -37.53 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.174 1.389 . . . . 0.0 111.77 -175.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.078 1.751 . . . . 0.0 112.438 173.444 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' C' ' 25' ' ' LEU . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.34 -19.25 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.53 93.53 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.772 0.701 . . . . 0.0 113.582 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.4 138.83 37.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.716 -0.873 . . . . 0.0 111.224 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 124.876 1.27 . . . . 0.0 111.92 -172.599 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt -131.96 -0.81 3.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.783 1.233 . . . . 0.0 113.824 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' B' ' 26' ' ' LYS . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.7 66.98 1.59 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.4 179.1 0.63 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 122.574 1.178 . . . . 0.0 111.862 171.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 43.1 tpt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 115.9 -2.0 . . . . 0.0 110.4 173.406 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 m -116.37 104.84 11.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.419 1.488 . . . . 0.0 110.031 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.15 144.21 54.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.676 1.591 . . . . 0.0 113.849 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.28 77.66 1.01 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.655 1.122 . . . . 0.0 114.157 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.0 155.98 29.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.965 0.906 . . . . 0.0 112.03 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -117.66 -13.82 10.21 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -163.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -75.21 170.67 15.59 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.289 0.95 . . . . 0.0 112.295 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 131.6 52.13 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 161.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.43 136.48 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.021 1.729 . . . . 0.0 110.611 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -69.74 157.58 37.05 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.995 0.518 . . . . 0.0 112.336 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.39 -28.73 68.46 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.797 -1.19 . . . . 0.0 112.306 170.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.18 -38.38 70.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.742 1.617 . . . . 0.0 113.82 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -106.62 -10.39 16.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.664 1.186 . . . . 0.0 113.205 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -73.69 48.92 0.29 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.727 1.611 . . . . 0.0 112.293 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.24 142.26 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.065 1.346 . . . . 0.0 110.319 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 140.3 46.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.321 1.048 . . . . 0.0 113.047 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -70.85 116.69 11.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.912 1.685 . . . . 0.0 111.776 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -73.81 -9.96 59.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -53.55 -34.43 58.24 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.375 -0.828 . . . . 0.0 111.467 165.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.68 -34.57 78.51 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 112.014 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.56 -35.3 73.01 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.01 -4.21 19.83 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -83.5 -31.93 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.11 -0.994 . . . . 0.0 111.359 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 124.761 1.225 . . . . 0.0 111.85 -175.626 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.42 -33.47 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 14.19 50.37 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.252 1.406 . . . . 0.0 115.465 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.25 151.39 43.76 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.208 1.504 . . . . 0.0 113.102 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 125.33 1.452 . . . . 0.0 111.007 176.692 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.25 -41.79 65.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.865 1.266 . . . . 0.0 112.366 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.457 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.37 29.22 10.4 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -90.56 136.66 32.92 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.829 1.315 . . . . 0.0 113.718 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 . . . . . 0 C--O 1.248 0.977 0 C-N-CA 123.751 0.82 . . . . 0.0 111.576 161.599 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -66.44 -4.1 7.55 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.225 1.41 . . . . 0.0 114.008 170.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.87 13.07 20.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 113.445 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.53 163.32 39.2 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.275 1.416 . . . . 0.0 113.031 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.53 148.67 49.16 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.131 -1.217 . . . . 0.0 111.81 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 55.84 22.65 5.76 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.032 1.733 . . . . 0.0 114.476 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -141.51 146.03 35.89 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.46 1.904 . . . . 0.0 109.634 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.72 31.71 76.37 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 121.487 -0.758 . . . . 0.0 114.305 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.58 162.39 25.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.258 1.023 . . . . 0.0 112.561 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -71.65 126.35 29.45 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.335 -0.853 . . . . 0.0 111.409 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -58.65 -32.66 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -62.37 -20.04 64.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.155 1.382 . . . . 0.0 114.154 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -91.03 23.62 3.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.234 1.813 . . . . 0.0 112.813 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -142.22 164.57 29.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.06 1.744 . . . . 0.0 112.107 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.56 -58.74 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.698 1.199 . . . . 0.0 113.042 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.71 142.01 53.4 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.193 -0.942 . . . . 0.0 111.812 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -69.9 -9.38 54.73 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.729 -1.232 . . . . 0.0 112.539 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -79.46 -22.06 44.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.483 1.513 . . . . 0.0 113.842 166.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -88.54 -38.0 15.27 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.783 1.233 . . . . 0.0 111.521 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.89 -28.96 17.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.117 1.767 . . . . 0.0 114.823 -170.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -52.72 -52.55 55.76 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.58 1.15 0.61 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.327 2.651 . . . . 0.0 117.828 -166.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.5 mt -107.26 19.1 5.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 125.422 1.489 . . . . 0.0 111.136 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 127.297 2.239 . . . . 0.0 115.119 -177.156 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p -71.26 -6.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -16.25 60.22 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.033 1.302 . . . . 0.0 114.387 166.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -84.33 -6.15 59.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.077 1.438 . . . . 0.0 113.917 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--O 1.245 0.853 0 C-N-CA 126.159 1.783 . . . . 0.0 114.382 -174.648 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.265 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.39 -32.2 71.08 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.852 0.861 . . . . 0.0 113.141 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.78 13.78 57.96 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.39 165.61 27.04 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.338 1.569 . . . . 0.0 113.445 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.76 1.624 . . . . 0.0 108.33 153.132 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 m -51.96 152.18 3.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.843 1.657 . . . . 0.0 111.59 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 t80 65.27 -12.91 0.13 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.721 2.009 . . . . 0.0 115.498 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.21 153.82 48.01 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.598 -1.314 . . . . 0.0 113.164 169.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.83 141.9 58.61 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -141.78 143.99 33.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.015 2.526 . . . . 0.0 107.691 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 mtm-85 -67.52 138.22 56.37 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.609 0.641 . . . . 0.0 111.037 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.28 85.8 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-O 119.063 -0.854 . . . . 0.0 115.141 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.11 153.76 43.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.551 1.941 . . . . 0.0 110.128 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 t -79.93 148.7 31.13 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.635 -0.666 . . . . 0.0 112.497 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -53.81 -38.6 64.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.516 1.126 . . . . 0.0 113.452 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.51 -17.26 64.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.756 1.222 . . . . 0.0 114.113 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -118.89 10.59 12.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.743 1.617 . . . . 0.0 112.782 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -86.91 127.19 35.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.303 1.041 . . . . 0.0 111.744 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.61 147.11 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.34 1.856 . . . . 0.0 109.304 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -72.17 146.71 47.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.962 1.363 . . . . 0.0 114.493 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -63.66 -37.46 87.43 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.101 1.36 . . . . 0.0 111.79 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 -26.52 68.84 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.499 1.12 . . . . 0.0 113.652 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -77.61 -30.41 52.33 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.908 -1.12 . . . . 0.0 111.419 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -72.52 -39.34 67.65 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.853 0.861 . . . . 0.0 110.792 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.46 -27.86 68.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -18.52 42.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.715 1.206 . . . . 0.0 112.965 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mt -103.48 -5.59 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 126.477 1.911 . . . . 0.0 112.264 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.635 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t -57.64 -26.45 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.64 -17.63 58.06 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 120.321 1.418 . . . . 0.0 116.471 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 129.73 35.62 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.239 1.52 . . . . 0.0 113.205 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 125.545 1.538 . . . . 0.0 112.042 179.608 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -16.78 64.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -170.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.14 25.95 42.44 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -97.26 149.92 21.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.362 1.081 . . . . 0.0 113.479 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.246 0.903 0 C-N-CA 126.972 2.109 . . . . 0.0 113.826 -177.323 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -79.74 -17.15 54.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.26 138.7 58.47 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.295 -0.878 . . . . 0.0 112.931 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.24 -14.2 63.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.3 1.429 . . . . 0.0 115.498 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 125.67 35.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.775 1.287 . . . . 0.0 111.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.63 116.29 24.65 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.132 -0.98 . . . . 0.0 112.266 -171.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -79.74 170.31 16.71 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.177 1.391 . . . . 0.0 111.667 161.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.46 59.1 0.98 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 -164.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -133.13 -27.62 1.6 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.163 2.185 . . . . 0.0 112.534 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 p -50.92 -31.72 18.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 114.459 -173.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -57.1 -26.8 61.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.406 1.083 . . . . 0.0 113.709 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -64.25 -22.48 66.96 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -114.92 25.1 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.313 1.045 . . . . 0.0 112.315 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 p -69.66 -8.54 48.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.98 147.77 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 126.212 1.805 . . . . 0.0 111.887 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 130.58 37.29 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.463 1.105 . . . . 0.0 112.176 166.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -78.82 30.92 0.2 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.86 -42.08 92.88 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.696 -1.252 . . . . 0.0 113.431 -167.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -74.1 -29.1 61.68 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.656 -0.653 . . . . 0.0 112.063 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.86 -49.03 72.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.454 0.702 . . . . 0.0 109.391 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.41 -23.98 63.78 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.33 -37.01 29.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.312 -0.868 . . . . 0.0 112.012 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mm -62.62 -30.67 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 O-C-N 121.297 -0.877 . . . . 0.0 111.967 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.67 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.09 -7.59 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.97 10.76 62.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.826 1.203 . . . . 0.0 115.084 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.92 138.0 57.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.034 1.334 . . . . 0.0 112.548 -171.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -165.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -3.06 24.39 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.67 34.19 35.83 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 159.94 30.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.959 1.704 . . . . 0.0 111.613 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 125.4 1.48 . . . . 0.0 114.306 -176.336 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -64.04 161.23 16.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.014 1.726 . . . . 0.0 114.92 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -78.17 149.23 33.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.545 1.138 . . . . 0.0 111.432 165.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 153.18 14.41 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.038 0.827 . . . . 0.0 113.028 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -153.86 156.01 36.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.925 1.69 . . . . 0.0 109.744 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 57.52 59.71 3.17 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.456 1.502 . . . . 0.0 112.517 -172.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -78.1 136.38 37.87 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.315 1.446 . . . . 0.0 110.585 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.12 -149.74 50.42 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.824 0.726 . . . . 0.0 113.694 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -84.45 146.99 27.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.871 0.869 . . . . 0.0 111.658 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -73.48 161.87 29.91 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.692 0.797 . . . . 0.0 112.607 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -56.66 -38.67 72.51 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -158.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -104.43 12.55 33.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.584 1.154 . . . . 0.0 113.383 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -83.67 -24.4 31.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.141 1.377 . . . . 0.0 114.686 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -68.27 120.97 15.27 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.552 -0.718 . . . . 0.0 111.391 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -75.12 126.9 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.674 0.79 . . . . 0.0 109.441 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.05 164.12 13.72 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.09 1.356 . . . . 0.0 112.425 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.29 140.36 37.59 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -73.23 -17.38 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -58.56 -27.56 64.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.072 0.949 . . . . 0.0 113.401 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.41 -37.16 82.46 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.82 0.848 . . . . 0.0 112.249 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.11 -14.73 61.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -78.86 -19.64 51.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.137 0.975 . . . . 0.0 113.419 166.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -91.88 -31.53 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.585 1.154 . . . . 0.0 111.735 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 126.329 1.852 . . . . 0.0 111.479 176.917 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.4 -9.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.94 79.23 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.536 1.541 . . . . 0.0 116.319 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -71.28 -166.38 0.17 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.831 1.253 . . . . 0.0 112.846 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 126.576 1.95 . . . . 0.0 109.932 169.313 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -48.47 -47.2 38.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.385 1.474 . . . . 0.0 114.356 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.17 17.75 62.17 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -116.65 -161.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.018 1.727 . . . . 0.0 112.531 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.667 1.987 . . . . 0.0 111.736 -167.07 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.1 p 41.86 54.53 3.91 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.382 1.873 . . . . 0.0 114.579 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.43 155.87 31.51 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.19 170.64 15.02 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.815 1.674 . . . . 0.0 113.586 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -47.76 107.2 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.661 1.184 . . . . 0.0 112.562 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 52.57 18.07 0.91 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.942 2.497 . . . . 0.0 115.426 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -69.17 -10.54 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.16 5.0 81.93 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.186 167.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.0 mt -134.36 177.11 8.01 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.442 1.897 . . . . 0.0 112.196 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -53.65 151.61 5.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.477 1.911 . . . . 0.0 114.349 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.47 -22.08 41.44 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -84.98 -12.15 53.91 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.51 -11.31 59.84 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.848 1.204 . . . . 0.0 113.538 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -64.87 -13.61 56.92 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.6 mt -136.12 132.52 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.467 1.507 . . . . 0.0 109.68 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -62.21 153.13 31.34 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.829 1.651 . . . . 0.0 114.348 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -94.75 -21.38 18.78 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.96 -46.3 82.26 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.6 -17.68 62.27 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -85.23 -29.64 24.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.267 1.027 . . . . 0.0 112.674 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.41 -41.64 94.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.58 82.28 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 110.056 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.98 -18.57 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.121 1.768 . . . . 0.0 113.274 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.8 -15.79 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.62 8.48 40.13 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.504 1.526 . . . . 0.0 116.187 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.29 158.92 32.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.238 1.519 . . . . 0.0 112.716 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.605 1.562 . . . . 0.0 112.778 172.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -74.1 -50.68 18.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -149.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.2 76.62 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.4 151.52 46.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.605 1.203 . . . . 0.0 111.253 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.911 -178.372 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.574 0.226 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -145.02 48.97 1.28 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.41 1.084 . . . . 0.0 110.362 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -72.87 123.52 23.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.917 -1.114 . . . . 0.0 111.47 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.62 -148.62 5.65 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.961 1.743 . . . . 0.0 111.511 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -23.14 66.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -77.49 117.41 18.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.542 1.137 . . . . 0.0 110.671 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -91.02 162.93 14.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.05 1.34 . . . . 0.0 112.582 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 33.31 57.35 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 114.691 0.636 . . . . 0.0 114.691 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.6 139.74 55.53 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 117.952 0.876 . . . . 0.0 111.995 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -62.42 154.7 27.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 114.166 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.02 -16.16 28.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.48 1.112 . . . . 0.0 113.871 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -82.41 -18.12 43.04 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.531 1.132 . . . . 0.0 112.857 170.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -83.54 -27.05 29.6 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.606 -1.309 . . . . 0.0 112.333 169.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.8 m -68.67 36.42 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.952 1.701 . . . . 0.0 113.669 168.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.9 122.65 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.057 2.143 . . . . 0.0 108.122 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.83 107.62 6.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -85.52 -10.99 55.24 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -79.49 -42.56 24.96 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.908 0.883 . . . . 0.0 111.793 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.07 -19.89 56.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.305 -0.872 . . . . 0.0 113.069 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.05 -20.31 65.84 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.22 -0.925 . . . . 0.0 113.021 169.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -71.98 -1.08 13.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -75.87 -7.31 54.21 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.754 1.622 . . . . 0.0 113.537 164.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.31 -14.4 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.746 1.619 . . . . 0.0 113.392 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -174.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.98 -27.38 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.78 34.15 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.382 0.515 . . . . 0.0 112.81 -171.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.01 176.12 9.5 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.771 1.628 . . . . 0.0 111.846 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.247 0.948 0 C-N-CA 125.834 1.654 . . . . 0.0 111.797 174.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -48.2 -40.7 25.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.059 1.344 . . . . 0.0 112.453 169.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.35 60.14 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.29 154.48 35.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.019 1.327 . . . . 0.0 111.728 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 125.623 1.569 . . . . 0.0 114.783 -164.584 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 120.366 0.127 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' C' ' 25' ' ' LEU . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' B' ' 26' ' ' LYS . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.457 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 . . . . . 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.427 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -58.45 -31.6 67.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 0.0 113.213 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.7 -24.27 65.52 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.32 55.04 Favored Glycine 0 CA--C 1.537 1.415 0 O-C-N 121.393 -0.817 . . . . 0.0 114.483 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.69 -14.68 61.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.645 1.178 . . . . 0.0 113.508 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -140.43 -27.89 0.73 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -64.91 109.35 2.07 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 121.183 1.811 . . . . 0.0 110.474 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.29 17.81 44.94 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.094 1.33 . . . . 0.0 115.443 -172.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -138.56 130.06 27.53 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.017 1.727 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -76.8 -178.97 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.971 -1.081 . . . . 0.0 112.859 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -67.59 -3.74 9.76 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.446 1.498 . . . . 0.0 113.908 171.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -136.38 38.97 2.69 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.187 1.395 . . . . 0.0 113.873 -169.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -85.59 63.0 7.82 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.707 -1.246 . . . . 0.0 111.866 171.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 p -120.22 -6.99 9.87 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 tt -155.87 141.82 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.865 1.666 . . . . 0.0 110.06 170.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 137.29 38.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.559 1.144 . . . . 0.0 111.249 176.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -67.48 -13.9 62.45 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.75 -1.219 . . . . 0.0 114.107 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -70.05 -41.68 73.87 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.793 0.837 . . . . 0.0 112.952 167.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -85.85 -31.31 22.32 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.106 1.362 . . . . 0.0 111.729 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.25 -38.79 74.38 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.506 1.523 . . . . 0.0 113.332 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.9 mt -91.45 -8.66 47.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.15 71.25 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -159.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 t -97.53 3.8 50.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.5 148.95 38.59 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.78 0.8 . . . . 0.0 112.408 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.4 p -75.58 161.93 28.72 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.157 0.983 . . . . 0.0 112.959 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.58 74.37 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -79.74 -27.71 40.54 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.819 0.848 . . . . 0.0 112.525 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.42 -43.38 77.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.734 -1.229 . . . . 0.0 112.095 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.76 -37.24 83.57 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.685 0.675 . . . . 0.0 112.027 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.55 -51.84 66.93 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.374 1.07 . . . . 0.0 111.55 172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -70.6 -25.82 63.22 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -77.58 -34.97 53.42 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.641 1.176 . . . . 0.0 112.822 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -68.12 -34.81 77.05 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.513 1.051 . . . . 0.0 111.529 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.8 ttp85 -60.38 -32.91 71.76 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.351 -0.843 . . . . 0.0 112.795 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -60.11 -26.78 66.49 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.17 -28.29 67.81 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.452 -0.78 . . . . 0.0 112.369 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -65.78 -43.43 88.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.77 -0.582 . . . . 0.0 111.525 172.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -70.41 -37.05 74.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.696 0.799 . . . . 0.0 111.642 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.5 mt -63.57 -32.77 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.801 1.24 . . . . 0.0 113.277 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.6 ptp -58.89 -23.88 61.6 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.602 -0.94 . . . . 0.0 112.979 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -62.46 -33.37 74.7 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.659 1.584 . . . . 0.0 112.723 174.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.48 79.74 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.964 0.906 . . . . 0.0 111.049 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.23 -47.76 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.722 0.809 . . . . 0.0 109.843 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.76 -51.16 69.96 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.125 0.97 . . . . 0.0 111.333 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -58.75 -49.37 77.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.772 0.829 . . . . 0.0 112.632 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -66.44 -37.98 86.36 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.198 1.363 . . . . 0.0 112.327 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.2 tpt -61.79 -48.31 81.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.146 0.885 . . . . 0.0 111.79 173.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -67.95 -30.4 69.68 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.982 0.913 . . . . 0.0 112.987 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -45.56 70.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.035 1.334 . . . . 0.0 111.717 171.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.53 -38.62 90.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.948 0.794 . . . . 0.0 111.877 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.3 -34.94 78.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.782 0.833 . . . . 0.0 112.786 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.33 -39.65 68.02 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.007 0.822 . . . . 0.0 112.736 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -62.49 -43.89 97.7 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.705 0.802 . . . . 0.0 111.491 172.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.35 -43.9 88.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.362 1.065 . . . . 0.0 111.484 172.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -62.16 -44.13 97.3 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.453 -0.78 . . . . 0.0 112.849 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -62.16 -40.17 95.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.351 0.978 . . . . 0.0 112.449 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.88 -41.5 82.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.642 0.777 . . . . 0.0 112.477 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.77 -37.42 84.26 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.253 -0.905 . . . . 0.0 111.807 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -68.02 -32.35 72.66 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.988 0.915 . . . . 0.0 112.942 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.99 -42.64 60.11 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.338 -0.851 . . . . 0.0 111.712 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 66.8 t -60.66 -42.09 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 120.964 -1.085 . . . . 0.0 110.958 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.71 98.28 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.021 0.828 . . . . 0.0 112.565 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -57.85 -53.36 59.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.604 0.762 . . . . 0.0 111.115 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 mt -67.5 -39.44 85.18 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -57.4 -46.09 83.85 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.82 0.736 . . . . 0.0 111.482 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.43 -40.44 95.76 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.734 0.697 . . . . 0.0 112.397 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.14 -24.18 67.77 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.29 4.75 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.551 1.54 . . . . 0.0 112.998 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.92 13.93 58.53 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 119.963 -1.71 . . . . 0.0 114.877 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -68.36 -176.79 0.8 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.753 1.221 . . . . 0.0 112.421 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.075 -1.44 . . . . 0.0 113.062 -176.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -20.9 62.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.83 -35.02 75.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.596 1.558 . . . . 0.0 112.594 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.61 74.14 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.213 -0.929 . . . . 0.0 112.615 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 mt -78.27 -37.03 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.365 1.066 . . . . 0.0 110.755 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -51.67 -54.32 29.32 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.897 0.771 . . . . 0.0 110.848 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -62.89 -37.4 86.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.119 0.567 . . . . 0.0 112.281 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -59.95 -40.84 90.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.33 1.052 . . . . 0.0 112.528 174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 77.3 mtm -74.45 -41.49 60.71 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.23 -35.26 73.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.504 1.047 . . . . 0.0 112.226 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -59.37 -37.6 78.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.401 1.08 . . . . 0.0 113.138 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.29 -33.71 76.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.474 1.034 . . . . 0.0 112.585 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -64.52 -30.71 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -79.93 -40.44 28.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.63 1.572 . . . . 0.0 113.007 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -60.55 -45.1 95.16 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.509 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -63.02 -30.78 71.87 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.272 -0.892 . . . . 0.0 112.453 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -68.91 -44.23 73.58 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.537 1.062 . . . . 0.0 112.828 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -59.59 -43.43 93.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.375 0.989 . . . . 0.0 111.07 173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.55 -46.86 84.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.111 0.964 . . . . 0.0 112.722 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.77 -39.01 87.22 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.555 1.525 . . . . 0.0 111.808 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -65.08 -36.98 86.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.396 -0.815 . . . . 0.0 113.076 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -72.07 -39.85 68.71 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.552 0.741 . . . . 0.0 111.98 174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.53 -47.74 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.512 1.125 . . . . 0.0 110.642 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.56 99.57 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.676 -0.64 . . . . 0.0 112.457 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -64.98 -42.51 94.49 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.217 1.007 . . . . 0.0 112.338 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -72.03 -40.39 68.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 112.29 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.38 -32.82 68.94 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.609 1.095 . . . . 0.0 112.158 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -65.98 -51.38 58.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.769 1.227 . . . . 0.0 111.646 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -59.76 -41.1 90.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.156 1.382 . . . . 0.0 113.14 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -93.64 7.29 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.104 1.362 . . . . 0.0 113.688 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.04 7.83 72.1 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 116.627 1.411 . . . . 0.0 116.627 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -73.18 -25.92 60.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.83 1.815 . . . . 0.0 112.963 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 126.474 1.91 . . . . 0.0 112.19 -179.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.8 t -74.94 147.24 41.08 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.404 0.681 . . . . 0.0 111.088 168.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -152.59 164.93 36.69 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.282 1.833 . . . . 0.0 110.502 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.38 3.43 34.85 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.443 1.02 . . . . 0.0 114.743 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 51.5 t80 -157.59 165.53 35.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.849 1.325 . . . . 0.0 112.148 -172.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 6' ' ' TYR . 34.4 ptt85 -55.27 157.58 3.53 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 112.573 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -87.46 168.41 13.13 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.639 0.776 . . . . 0.0 111.291 164.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.11 140.84 40.38 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 123.952 0.787 . . . . 0.0 112.978 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -153.86 -25.83 0.13 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.587 1.555 . . . . 0.0 113.449 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -74.27 150.33 40.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.369 -0.832 . . . . 0.0 111.916 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 13' ' ' TYR . 44.3 pttt -60.1 -41.84 93.39 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.251 -0.906 . . . . 0.0 112.753 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 12' ' ' LYS . 31.0 m-85 -66.47 -38.1 86.57 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -174.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -78.03 -32.92 51.28 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.661 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.5 m -78.44 -18.76 54.47 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -168.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 tt -93.14 147.97 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.849 1.26 . . . . 0.0 111.378 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.99 138.59 56.02 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.341 -0.85 . . . . 0.0 110.868 174.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -67.17 -17.23 64.75 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.839 -1.163 . . . . 0.0 114.093 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -65.14 -40.85 94.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.313 0.961 . . . . 0.0 112.62 -173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -65.59 -38.64 90.08 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.47 -0.769 . . . . 0.0 111.492 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -67.06 -45.74 76.48 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.34 0.656 . . . . 0.0 110.911 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.61 -35.72 79.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.789 1.236 . . . . 0.0 112.565 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -28.62 64.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.937 0.895 . . . . 0.0 113.16 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.2 m -70.81 -37.29 73.24 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.47 144.57 48.01 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.721 0.808 . . . . 0.0 112.891 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -70.59 159.03 35.11 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.546 0.689 . . . . 0.0 111.41 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.35 68.09 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.279 -0.888 . . . . 0.0 113.089 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.77 -42.07 91.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.453 1.101 . . . . 0.0 112.102 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -67.57 -42.69 82.16 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.66 0.784 . . . . 0.0 111.875 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.7 mt -62.93 -35.46 80.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.575 -0.703 . . . . 0.0 112.355 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.86 -43.37 93.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.764 1.225 . . . . 0.0 112.059 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -67.05 -43.69 82.09 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.712 0.805 . . . . 0.0 111.539 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.8 -37.3 78.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.165 1.386 . . . . 0.0 113.088 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.95 -39.29 81.2 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.758 1.163 . . . . 0.0 111.831 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttp-105 -75.24 -41.5 57.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.602 0.761 . . . . 0.0 112.382 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.1 -19.15 64.16 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.86 -31.94 17.11 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.139 1.376 . . . . 0.0 113.097 166.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -64.78 -32.97 74.91 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.644 1.111 . . . . 0.0 113.361 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -69.26 -17.37 63.74 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.061 -1.024 . . . . 0.0 113.709 171.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.9 mm -84.11 -37.57 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.701 -1.25 . . . . 0.0 112.41 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.484 1.266 0 C-N-CA 128.164 2.585 . . . . 0.0 109.781 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.7 tpp -56.25 -53.1 61.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -166.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -68.89 -25.19 64.49 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.072 0.949 . . . . 0.0 112.482 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.71 -34.82 62.67 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.403 -0.811 . . . . 0.0 113.031 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.44 -42.75 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 121.104 -0.997 . . . . 0.0 110.03 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.28 -42.77 99.14 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.551 -0.718 . . . . 0.0 112.422 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -55.41 -46.27 76.65 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.943 1.297 . . . . 0.0 112.055 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -55.09 -53.43 55.94 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.213 0.915 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.68 -34.39 78.18 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -63.01 -33.58 75.73 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.426 -0.796 . . . . 0.0 112.596 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.24 -39.14 92.32 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.909 1.232 . . . . 0.0 112.403 172.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.43 -34.72 78.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.472 1.033 . . . . 0.0 112.208 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.87 -34.6 75.72 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 111.926 173.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.34 -30.06 66.92 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.15 0.98 . . . . 0.0 113.442 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.81 -53.61 55.26 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.353 1.433 . . . . 0.0 109.43 162.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.62 -46.4 88.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.101 1.36 . . . . 0.0 113.521 -167.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -75.95 -14.1 60.24 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -79.34 -51.44 9.42 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.444 -0.785 . . . . 0.0 111.257 159.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.35 -47.94 74.99 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -59.34 -29.63 67.8 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.25 1.02 . . . . 0.0 112.734 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -89.15 -41.44 12.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.552 1.141 . . . . 0.0 112.681 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -63.79 -41.2 97.96 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.083 1.353 . . . . 0.0 111.428 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.7 -36.09 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.836 . . . . 0.0 111.733 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.86 89.73 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.158 -0.964 . . . . 0.0 112.453 175.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -58.53 -51.83 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.789 0.835 . . . . 0.0 110.852 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.5 mt -65.29 -39.4 92.51 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.45 0.7 . . . . 0.0 112.817 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -59.37 -35.79 74.56 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.664 1.12 . . . . 0.0 112.604 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -73.39 -33.86 65.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.26 1.024 . . . . 0.0 112.996 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.85 -26.34 59.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.78 -36.02 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.982 0.913 . . . . 0.0 113.398 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 18.01 36.49 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.3 0.952 . . . . 0.0 114.69 -170.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -80.55 135.06 36.02 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.197 1.399 . . . . 0.0 111.179 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -153.212 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -52.53 -20.51 3.0 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.64 -18.86 34.04 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.01 -38.47 65.15 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.608 1.549 . . . . 0.0 112.408 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 88.4 mt -75.73 -41.4 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.766 0.826 . . . . 0.0 110.877 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -56.15 -42.62 77.26 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.334 0.653 . . . . 0.0 110.91 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.87 -49.36 73.03 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.882 1.673 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -54.32 -44.93 72.45 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.691 1.132 . . . . 0.0 111.58 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 31.1 ttp -73.75 -44.52 55.94 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.82 -39.77 91.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.232 0.924 . . . . 0.0 111.894 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 48.3 ttm -60.09 -48.7 80.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.853 0.861 . . . . 0.0 111.178 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.65 -34.35 76.9 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -65.13 -44.87 87.25 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.112 -0.993 . . . . 0.0 112.175 173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.97 -40.13 95.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.096 0.558 . . . . 0.0 111.689 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -58.75 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.701 0.801 . . . . 0.0 112.305 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.89 -36.71 84.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.476 0.71 . . . . 0.0 112.643 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -67.35 -38.32 84.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.335 1.054 . . . . 0.0 113.046 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.44 -35.39 60.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.44 -47.33 85.87 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.031 0.832 . . . . 0.0 111.899 169.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -60.07 -33.42 72.04 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.755 0.822 . . . . 0.0 111.741 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.83 -36.93 75.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -71.11 -40.57 71.39 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.518 1.054 . . . . 0.0 111.102 171.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -56.91 -42.14 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.113 -0.992 . . . . 0.0 110.799 170.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.65 74.14 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -64.81 -54.05 37.32 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.223 0.92 . . . . 0.0 110.128 171.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -70.36 -42.88 71.23 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.543 0.737 . . . . 0.0 112.891 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -58.28 -30.22 66.43 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.346 0.975 . . . . 0.0 112.736 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -70.05 -41.99 73.47 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.406 1.003 . . . . 0.0 111.847 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.94 -41.1 99.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.478 0.711 . . . . 0.0 111.991 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 22.2 m -85.51 6.45 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.28 18.21 62.65 Favored Glycine 0 CA--C 1.537 1.465 0 O-C-N 120.654 -1.279 . . . . 0.0 115.789 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -82.43 -13.21 57.16 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 119.988 1.894 . . . . 0.0 114.264 173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.028 0 C-N-CA 126.649 1.98 . . . . 0.0 112.156 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.685 -0.117 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 p -92.42 -4.88 53.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.608 1.563 . . . . 0.0 113.177 168.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.75 122.53 15.01 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.393 -1.442 . . . . 0.0 111.994 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.62 -20.89 48.61 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.672 1.606 . . . . 0.0 114.382 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -80.6 168.38 18.96 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.604 1.562 . . . . 0.0 113.301 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 tpt85 56.28 -8.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 129.559 3.144 . . . . 0.0 118.611 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -73.94 14.8 0.35 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.38 2.272 . . . . 0.0 116.452 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.03 174.64 46.44 Favored Glycine 0 CA--C 1.538 1.477 0 CA-C-N 119.061 0.846 . . . . 0.0 112.982 168.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.32 144.39 56.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.574 0.75 . . . . 0.0 112.456 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -148.05 163.09 37.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.359 1.463 . . . . 0.0 111.894 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -162.52 147.66 12.31 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.482 1.513 . . . . 0.0 112.166 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -112.87 137.55 51.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.832 1.253 . . . . 0.0 112.994 172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.77 172.81 12.4 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.634 2.374 . . . . 0.0 107.883 154.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 p -72.0 -177.69 2.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 120.498 -1.376 . . . . 0.0 112.937 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -57.8 149.24 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.309 1.443 . . . . 0.0 113.473 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.66 171.31 5.27 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 127.103 2.161 . . . . 0.0 114.879 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.81 137.26 58.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.724 1.61 . . . . 0.0 113.51 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -31.43 67.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.856 1.262 . . . . 0.0 113.578 -173.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -62.86 -20.79 65.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.021 1.328 . . . . 0.0 113.39 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.88 -41.2 83.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.52 0.728 . . . . 0.0 111.367 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.73 -34.52 73.97 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.852 0.861 . . . . 0.0 111.553 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.71 -12.02 14.68 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -70.12 -24.74 63.24 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 171.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.36 142.2 43.19 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.073 0.949 . . . . 0.0 112.567 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 t -69.3 157.34 37.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.526 0.73 . . . . 0.0 111.382 165.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -45.94 82.78 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -166.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -75.89 -29.36 58.43 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.18 0.9 . . . . 0.0 112.901 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.32 -36.6 81.79 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.143 -0.973 . . . . 0.0 110.92 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 tp -66.23 -30.6 71.08 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.328 -0.857 . . . . 0.0 111.802 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -73.33 -32.18 64.41 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.123 -0.986 . . . . 0.0 112.408 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -66.01 -36.56 83.6 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.427 -0.796 . . . . 0.0 112.171 170.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -67.34 -32.07 72.78 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.748 -0.595 . . . . 0.0 112.511 168.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.98 -37.99 85.25 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.667 -1.271 . . . . 0.0 112.572 170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -67.13 -28.79 68.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.421 1.088 . . . . 0.0 113.83 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -59.96 -31.95 70.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.217 0.917 . . . . 0.0 111.46 167.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -95.69 6.69 48.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.441 1.496 . . . . 0.0 112.935 -175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.37 -26.43 68.75 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.302 1.841 . . . . 0.0 113.904 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.56 -48.15 78.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.666 -1.271 . . . . 0.0 111.012 168.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -69.01 -37.53 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.174 1.389 . . . . 0.0 111.77 -175.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.078 1.751 . . . . 0.0 112.438 173.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp -55.68 -42.97 75.91 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -168.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.86 -20.75 64.29 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.34 -38.05 20.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.235 0.925 . . . . 0.0 111.347 169.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.41 -52.38 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.921 1.289 . . . . 0.0 110.305 175.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -55.88 -41.7 74.82 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.373 0.669 . . . . 0.0 112.102 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -67.13 -47.7 70.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.063 0.945 . . . . 0.0 112.311 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -61.77 -34.28 75.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 118.94 0.791 . . . . 0.0 112.545 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.4 mtp -67.84 -40.71 83.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.41 -0.806 . . . . 0.0 112.562 170.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -61.2 -38.54 86.92 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.44 -0.788 . . . . 0.0 112.224 172.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.0 -46.51 87.98 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.584 1.084 . . . . 0.0 111.864 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.39 -32.88 73.76 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.613 -0.679 . . . . 0.0 112.621 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -74.64 -33.34 62.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.079 1.352 . . . . 0.0 112.924 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.821 1.248 . . . . 0.0 112.436 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -64.12 -37.55 87.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.274 0.488 . . . . 0.0 111.633 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -63.5 -42.42 98.52 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.765 -0.584 . . . . 0.0 111.961 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -64.69 -37.43 87.57 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.715 0.806 . . . . 0.0 113.082 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -60.3 -48.95 79.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.077 0.951 . . . . 0.0 111.417 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.34 -41.15 94.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.7 -39.17 80.0 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.047 0.939 . . . . 0.0 112.63 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.89 -42.72 69.62 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.149 0.58 . . . . 0.0 112.531 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.16 -37.21 80.77 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.089 0.859 . . . . 0.0 112.102 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.23 -50.72 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.627 -0.671 . . . . 0.0 110.599 167.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.48 74.52 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.127 0.876 . . . . 0.0 112.992 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -63.26 -52.53 61.69 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.781 1.232 . . . . 0.0 111.529 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -72.31 -34.65 68.27 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.403 ' HE2' HD11 ' C' ' 25' ' ' LEU . 62.6 mmtt -55.57 -37.05 67.52 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.246 1.018 . . . . 0.0 113.364 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -58.74 -38.83 79.27 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.527 1.131 . . . . 0.0 112.356 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.7 -37.76 65.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.858 1.263 . . . . 0.0 112.86 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 m -87.34 -19.25 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.33 36.53 93.53 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.772 0.701 . . . . 0.0 113.582 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.4 138.83 37.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.716 -0.873 . . . . 0.0 111.224 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 C--O 1.251 1.144 0 C-N-CA 124.876 1.27 . . . . 0.0 111.92 -172.599 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt -131.96 -0.81 3.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.783 1.233 . . . . 0.0 113.824 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -63.93 -19.95 65.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.57 -36.9 56.81 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.596 1.558 . . . . 0.0 114.363 -167.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.5 mt -69.51 -44.79 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.542 0.61 . . . . 0.0 110.83 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -64.01 -41.11 97.56 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.507 -0.746 . . . . 0.0 110.966 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -60.94 -39.59 90.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.723 1.609 . . . . 0.0 112.303 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -66.25 -36.65 83.55 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.075 0.852 . . . . 0.0 112.476 172.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 34.8 mmt -69.35 -40.07 77.73 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.518 1.054 . . . . 0.0 112.856 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -60.51 -40.45 91.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.011 0.924 . . . . 0.0 112.027 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 8.2 tmm? -62.78 -47.55 82.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.555 -0.715 . . . . 0.0 111.238 171.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.67 -36.98 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -71.65 -32.0 67.44 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.868 -1.145 . . . . 0.0 112.466 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -68.23 -38.61 82.03 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.515 0.598 . . . . 0.0 111.929 170.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.34 -47.75 80.78 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.902 1.281 . . . . 0.0 110.32 170.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.89 -42.78 94.55 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -63.64 -48.42 77.31 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.045 1.293 . . . . 0.0 112.365 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.15 -29.55 68.48 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.017 -1.052 . . . . 0.0 112.534 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.26 -43.73 77.17 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.507 1.048 . . . . 0.0 112.724 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.19 -38.89 88.17 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.129 1.331 . . . . 0.0 111.295 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -69.76 -32.83 71.56 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -69.65 -39.06 77.31 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.504 1.047 . . . . 0.0 111.754 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.9 -42.35 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.195 -0.941 . . . . 0.0 110.762 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.09 98.39 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.127 0.876 . . . . 0.0 112.588 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.85 -46.86 85.95 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 118.877 0.762 . . . . 0.0 111.251 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' B' ' 26' ' ' LYS . 58.2 mt -63.03 -40.19 97.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.997 0.919 . . . . 0.0 111.864 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -61.52 -43.04 99.59 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.567 1.147 . . . . 0.0 112.613 171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -65.5 -32.63 74.34 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 118.241 -0.885 . . . . 0.0 112.84 171.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -80.73 -38.25 29.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.269 1.395 . . . . 0.0 113.313 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.18 -32.35 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.542 0.737 . . . . 0.0 110.763 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.7 66.98 1.59 Allowed Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.102 0.858 . . . . 0.0 111.271 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -64.4 179.1 0.63 Allowed 'General case' 0 CA--C 1.558 1.259 0 CA-C-O 122.574 1.178 . . . . 0.0 111.862 171.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 43.1 tpt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 115.9 -2.0 . . . . 0.0 110.4 173.406 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 m -116.37 104.84 11.87 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.419 1.488 . . . . 0.0 110.031 175.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -61.15 144.21 54.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.676 1.591 . . . . 0.0 113.849 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.28 77.66 1.01 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.655 1.122 . . . . 0.0 114.157 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.0 155.98 29.4 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.965 0.906 . . . . 0.0 112.03 168.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -117.66 -13.82 10.21 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -163.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -75.21 170.67 15.59 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.289 0.95 . . . . 0.0 112.295 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 131.6 52.13 Favored Glycine 0 CA--C 1.538 1.496 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 161.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -112.43 136.48 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.021 1.729 . . . . 0.0 110.611 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -69.74 157.58 37.05 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.995 0.518 . . . . 0.0 112.336 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.39 -28.73 68.46 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.797 -1.19 . . . . 0.0 112.306 170.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.18 -38.38 70.87 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.742 1.617 . . . . 0.0 113.82 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -106.62 -10.39 16.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.664 1.186 . . . . 0.0 113.205 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.0 m -73.69 48.92 0.29 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.727 1.611 . . . . 0.0 112.293 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -78.24 142.26 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.065 1.346 . . . . 0.0 110.319 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 140.3 46.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.321 1.048 . . . . 0.0 113.047 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -70.85 116.69 11.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.912 1.685 . . . . 0.0 111.776 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -73.81 -9.96 59.19 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -53.55 -34.43 58.24 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.375 -0.828 . . . . 0.0 111.467 165.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.68 -34.57 78.51 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.714 0.806 . . . . 0.0 112.014 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.36 -33.87 71.94 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.433 0.693 . . . . 0.0 111.77 174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.13 67.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.6 p -69.84 -11.43 60.85 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.3 mt -86.62 149.8 24.66 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.988 1.315 . . . . 0.0 112.843 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -66.95 159.61 28.1 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.315 -0.866 . . . . 0.0 112.358 171.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.11 62.63 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -79.75 -40.11 29.52 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.337 1.055 . . . . 0.0 112.355 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.28 -31.53 72.77 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.947 -1.096 . . . . 0.0 112.836 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.53 -21.13 66.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -81.4 -37.14 28.64 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.288 0.949 . . . . 0.0 111.841 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -67.75 -37.24 81.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.979 0.912 . . . . 0.0 113.459 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.1 -39.06 69.18 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 169.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -55.58 -42.68 75.12 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.726 0.81 . . . . 0.0 112.044 174.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 mtm-85 -56.54 -40.82 75.77 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.08 1.352 . . . . 0.0 113.53 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' OE1' ' HE2' ' C' ' 5' ' ' LYS . 11.6 tp10 -67.53 -26.93 66.56 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.41 3.55 51.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.842 1.657 . . . . 0.0 113.734 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.56 -35.3 73.01 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.501 1.5 . . . . 0.0 113.432 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.01 -4.21 19.83 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -83.5 -31.93 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.11 -0.994 . . . . 0.0 111.359 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 124.761 1.225 . . . . 0.0 111.85 -175.626 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 138.53 17.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.634 1.174 . . . . 0.0 109.222 168.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -20.91 66.16 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -154.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.99 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.394 -0.816 . . . . 0.0 112.762 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.27 -51.03 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 110.968 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -65.51 -31.35 72.36 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.569 -0.707 . . . . 0.0 112.218 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -64.28 -31.64 72.92 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.973 0.806 . . . . 0.0 112.964 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -64.87 -39.94 94.35 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.106 1.321 . . . . 0.0 112.582 169.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.1 mtm -65.35 -41.15 94.18 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.809 0.731 . . . . 0.0 111.915 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.5 -49.1 78.88 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.465 0.706 . . . . 0.0 111.275 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.95 -44.82 82.93 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.938 0.895 . . . . 0.0 112.224 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.1 -42.23 85.22 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.697 0.799 . . . . 0.0 112.598 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -75.65 -34.8 60.53 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.91 -40.68 87.73 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.2 1.0 . . . . 0.0 112.353 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.38 -39.62 92.49 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.507 -0.759 . . . . 0.0 111.408 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.27 -43.37 96.27 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.288 1.404 . . . . 0.0 112.098 173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -65.93 -39.16 90.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.427 0.691 . . . . 0.0 112.654 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.55 -46.65 84.97 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.496 -0.752 . . . . 0.0 111.442 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.12 -45.06 93.76 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.483 1.113 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.72 -32.47 73.11 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.227 1.376 . . . . 0.0 112.407 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -67.38 -42.07 83.99 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.543 -0.723 . . . . 0.0 112.222 171.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -63.7 -45.98 87.53 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.886 0.766 . . . . 0.0 111.678 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 67.4 t -58.56 -45.57 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 118.75 0.705 . . . . 0.0 110.569 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.74 88.12 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.915 0.78 . . . . 0.0 112.664 175.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -59.93 -51.09 71.17 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.35 1.06 . . . . 0.0 110.74 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.02 -39.84 79.0 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.489 0.716 . . . . 0.0 111.797 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -60.64 -38.28 84.27 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.155 1.343 . . . . 0.0 112.507 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.58 -23.9 62.67 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -81.02 -39.57 25.65 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.353 1.061 . . . . 0.0 113.027 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.42 -33.47 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 124.023 0.929 . . . . 0.0 112.058 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.87 14.19 50.37 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.252 1.406 . . . . 0.0 115.465 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.25 151.39 43.76 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.208 1.504 . . . . 0.0 113.102 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 125.33 1.452 . . . . 0.0 111.007 176.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.25 -41.79 65.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.865 1.266 . . . . 0.0 112.366 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -55.68 -49.39 73.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.465 1.506 . . . . 0.0 112.589 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.54 94.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.646 0.778 . . . . 0.0 112.391 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.13 -44.6 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.407 -0.808 . . . . 0.0 110.319 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.457 ' HE2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 tttt -62.39 -41.95 99.05 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.703 1.201 . . . . 0.0 111.262 175.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -61.55 -39.39 90.95 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.731 0.812 . . . . 0.0 112.365 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -60.42 -43.55 96.63 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.226 0.921 . . . . 0.0 111.65 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.67 -41.47 96.06 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.929 -0.482 . . . . 0.0 112.287 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -59.87 -44.97 93.87 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.814 0.846 . . . . 0.0 112.023 175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 97.5 mtp -62.35 -42.89 99.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.336 -0.853 . . . . 0.0 112.376 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.72 -34.68 77.67 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.019 0.827 . . . . 0.0 112.651 174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -69.05 -35.19 76.29 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.178 -0.951 . . . . 0.0 112.66 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.31 -39.73 68.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.0 112.737 174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.22 -46.31 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.313 1.045 . . . . 0.0 111.277 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.85 -31.96 73.44 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.013 -1.055 . . . . 0.0 112.982 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.99 -39.18 90.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.04 1.291 . . . . 0.0 112.143 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -62.18 -52.16 64.9 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.437 -0.79 . . . . 0.0 110.616 171.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.99 -37.19 86.18 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.5 -44.22 96.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.288 1.404 . . . . 0.0 111.111 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -65.72 -38.95 90.58 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 112.085 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -70.81 -39.35 73.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.77 -40.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 121.195 -0.941 . . . . 0.0 111.043 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.96 90.17 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.568 1.077 . . . . 0.0 112.411 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 ttp85 -61.31 -53.56 55.13 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.616 0.767 . . . . 0.0 111.087 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.26 -41.36 81.23 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -58.29 -46.36 86.23 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.562 1.145 . . . . 0.0 111.379 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.1 -41.74 99.44 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 111.746 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -69.86 -31.18 68.88 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -83.35 -26.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.911 1.232 . . . . 0.0 113.42 170.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.37 29.22 10.4 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 124.561 1.077 . . . . 0.0 115.247 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -90.56 136.66 32.92 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.829 1.315 . . . . 0.0 113.718 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 . . . . . 0 C--O 1.248 0.977 0 C-N-CA 123.751 0.82 . . . . 0.0 111.576 161.599 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.475 0.805 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -66.44 -4.1 7.55 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.225 1.41 . . . . 0.0 114.008 170.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -111.87 13.07 20.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 113.445 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.53 163.32 39.2 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.275 1.416 . . . . 0.0 113.031 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.53 148.67 49.16 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.131 -1.217 . . . . 0.0 111.81 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 55.84 22.65 5.76 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.032 1.733 . . . . 0.0 114.476 -173.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -141.51 146.03 35.89 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.46 1.904 . . . . 0.0 109.634 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.72 31.71 76.37 Favored Glycine 0 CA--C 1.533 1.175 0 O-C-N 121.487 -0.758 . . . . 0.0 114.305 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.58 162.39 25.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.258 1.023 . . . . 0.0 112.561 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -71.65 126.35 29.45 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.335 -0.853 . . . . 0.0 111.409 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -58.65 -32.66 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -62.37 -20.04 64.01 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.155 1.382 . . . . 0.0 114.154 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -91.03 23.62 3.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.234 1.813 . . . . 0.0 112.813 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.8 p -142.22 164.57 29.79 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.06 1.744 . . . . 0.0 112.107 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.56 -58.74 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.698 1.199 . . . . 0.0 113.042 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.71 142.01 53.4 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.193 -0.942 . . . . 0.0 111.812 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -69.9 -9.38 54.73 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.729 -1.232 . . . . 0.0 112.539 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -79.46 -22.06 44.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.483 1.513 . . . . 0.0 113.842 166.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -88.54 -38.0 15.27 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.783 1.233 . . . . 0.0 111.521 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.89 -28.96 17.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.117 1.767 . . . . 0.0 114.823 -170.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.8 tp -51.74 -35.46 43.42 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.378 . . . . 0.0 113.172 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.4 -17.73 64.95 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.8 p -71.58 -18.53 62.23 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -73.68 132.42 42.69 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.604 -0.685 . . . . 0.0 111.832 -177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -65.5 168.61 7.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.555 1.142 . . . . 0.0 112.416 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -31.4 70.09 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -86.53 -31.58 21.19 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.68 -45.25 59.83 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.506 1.503 . . . . 0.0 111.563 173.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 tp -62.15 -33.27 74.17 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.288 0.635 . . . . 0.0 112.087 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.52 -24.77 67.95 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -69.39 -34.8 75.05 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.249 -0.907 . . . . 0.0 112.183 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.52 -32.45 64.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.658 -0.651 . . . . 0.0 111.834 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -60.17 -33.5 72.29 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.446 1.098 . . . . 0.0 111.691 171.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -77.78 -42.55 33.61 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.482 1.113 . . . . 0.0 113.44 169.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -60.34 -28.34 68.07 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.479 -0.763 . . . . 0.0 112.532 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.7 mt -111.89 25.32 11.72 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.891 1.676 . . . . 0.0 114.334 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -52.72 -52.55 55.76 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.799 -1.188 . . . . 0.0 111.778 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.58 1.15 0.61 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.327 2.651 . . . . 0.0 117.828 -166.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.5 mt -107.26 19.1 5.62 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 C-N-CA 125.422 1.489 . . . . 0.0 111.136 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 127.297 2.239 . . . . 0.0 115.119 -177.156 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 118.682 -1.065 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -54.72 -46.92 74.3 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 119.426 1.613 . . . . 0.0 113.713 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -60.51 -48.28 82.46 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.307 1.043 . . . . 0.0 111.328 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.39 86.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.628 0.771 . . . . 0.0 112.987 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 85.4 mt -59.32 -46.66 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.15 1.341 . . . . 0.0 109.907 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -67.04 -38.47 85.91 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.741 -0.6 . . . . 0.0 112.156 177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -62.52 -47.77 82.46 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.922 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.16 -43.11 82.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.699 1.2 . . . . 0.0 111.855 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt -62.43 -41.64 98.86 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.527 0.731 . . . . 0.0 112.556 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.8 -43.72 87.84 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.118 -0.989 . . . . 0.0 111.509 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 79.9 mtp -59.07 -37.55 77.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.129 0.971 . . . . 0.0 112.253 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.03 -36.36 77.08 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.159 0.584 . . . . 0.0 111.925 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -69.55 -38.47 77.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.162 0.985 . . . . 0.0 112.704 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.32 -35.69 79.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.357 0.981 . . . . 0.0 112.264 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -79.78 -32.09 40.87 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 173.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -55.05 -43.58 73.92 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.11 -0.994 . . . . 0.0 110.673 165.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -70.86 -34.89 72.08 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.042 1.737 . . . . 0.0 113.513 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -60.69 -45.75 92.98 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.402 -1.436 . . . . 0.0 110.695 171.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.68 -42.69 95.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.152 0.981 . . . . 0.0 112.098 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.28 -30.72 71.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.699 1.59 . . . . 0.0 112.562 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -77.62 -26.73 50.82 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.175 -1.578 . . . . 0.0 112.793 172.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -71.53 -40.29 70.17 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.795 1.179 . . . . 0.0 111.84 167.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.02 -42.69 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 110.25 169.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.25 94.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.644 1.111 . . . . 0.0 113.248 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -57.82 -46.14 85.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.653 0.781 . . . . 0.0 110.997 172.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.37 -33.06 72.49 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.376 1.071 . . . . 0.0 112.731 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.6 -28.02 68.82 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.862 1.665 . . . . 0.0 112.961 174.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -72.49 -52.72 14.53 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.567 0.621 . . . . 0.0 111.237 163.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.8 mt -57.38 -37.24 72.34 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 p -71.26 -6.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -16.25 60.22 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.033 1.302 . . . . 0.0 114.387 166.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -84.33 -6.15 59.35 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.077 1.438 . . . . 0.0 113.917 -177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--O 1.245 0.853 0 C-N-CA 126.159 1.783 . . . . 0.0 114.382 -174.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.265 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.39 -32.2 71.08 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.852 0.861 . . . . 0.0 113.141 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -48.57 -47.15 39.77 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.477 1.911 . . . . 0.0 113.851 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.66 71.45 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.892 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 84.4 mt -71.74 -45.87 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.393 -0.817 . . . . 0.0 109.989 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -58.43 -40.19 81.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.678 0.791 . . . . 0.0 111.375 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -59.09 -46.33 88.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.538 0.608 . . . . 0.0 112.264 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.2 -37.79 88.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.642 0.656 . . . . 0.0 112.514 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 58.3 mtt -65.16 -44.49 88.39 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.279 0.631 . . . . 0.0 112.662 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.66 -46.31 87.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.915 0.886 . . . . 0.0 111.795 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 26.2 mtt -59.19 -43.48 92.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.177 0.591 . . . . 0.0 111.8 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.13 -36.28 81.56 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.94 0.791 . . . . 0.0 113.093 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -62.37 -40.42 96.38 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.164 -0.96 . . . . 0.0 112.218 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.51 -38.97 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.4 -40.58 91.46 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.748 1.219 . . . . 0.0 111.624 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -60.49 -42.69 96.81 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.977 -1.077 . . . . 0.0 112.888 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.6 -46.07 89.98 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.403 1.001 . . . . 0.0 112.089 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.48 -29.77 69.29 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.783 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.45 -41.87 72.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.082 1.31 . . . . 0.0 113.01 170.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.26 -41.03 71.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.125 1.33 . . . . 0.0 110.81 168.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.86 -34.5 60.03 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -70.93 -41.11 71.59 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.526 1.13 . . . . 0.0 111.073 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.06 -45.26 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.476 0.71 . . . . 0.0 110.157 167.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.37 98.96 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.345 0.975 . . . . 0.0 113.166 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -58.61 -49.29 78.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.915 0.886 . . . . 0.0 111.315 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.18 -36.89 85.63 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.36 0.664 . . . . 0.0 112.376 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -72.12 -8.72 56.28 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.631 1.973 . . . . 0.0 113.571 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -80.94 -53.98 5.98 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.302 1.041 . . . . 0.0 111.124 157.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.28 -31.81 72.84 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 63.9 t -67.69 -10.27 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 120.953 -1.092 . . . . 0.0 112.514 173.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.78 13.78 57.96 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 126.309 1.909 . . . . 0.0 115.529 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.39 165.61 27.04 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.338 1.569 . . . . 0.0 113.445 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.76 1.624 . . . . 0.0 108.33 153.132 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 m -51.96 152.18 3.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.843 1.657 . . . . 0.0 111.59 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 t80 65.27 -12.91 0.13 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.721 2.009 . . . . 0.0 115.498 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.21 153.82 48.01 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 120.598 -1.314 . . . . 0.0 113.164 169.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.83 141.9 58.61 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -141.78 143.99 33.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.015 2.526 . . . . 0.0 107.691 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 mtm-85 -67.52 138.22 56.37 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.609 0.641 . . . . 0.0 111.037 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.28 85.8 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-O 119.063 -0.854 . . . . 0.0 115.141 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.11 153.76 43.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.551 1.941 . . . . 0.0 110.128 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 t -79.93 148.7 31.13 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.635 -0.666 . . . . 0.0 112.497 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -53.81 -38.6 64.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.516 1.126 . . . . 0.0 113.452 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.51 -17.26 64.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.756 1.222 . . . . 0.0 114.113 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -118.89 10.59 12.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.743 1.617 . . . . 0.0 112.782 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -86.91 127.19 35.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.303 1.041 . . . . 0.0 111.744 172.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.61 147.11 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.34 1.856 . . . . 0.0 109.304 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -72.17 146.71 47.21 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 122.962 1.363 . . . . 0.0 114.493 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.3 mp0 -63.66 -37.46 87.43 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.101 1.36 . . . . 0.0 111.79 -173.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 -26.52 68.84 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.499 1.12 . . . . 0.0 113.652 172.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -77.61 -30.41 52.33 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.908 -1.12 . . . . 0.0 111.419 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -72.52 -39.34 67.65 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.853 0.861 . . . . 0.0 110.792 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.96 -36.65 77.55 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.382 0.673 . . . . 0.0 111.682 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.47 -7.13 17.62 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 p -85.55 -14.72 44.99 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.79 139.36 30.6 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -168.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -86.0 167.1 15.35 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.386 1.074 . . . . 0.0 112.466 171.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.71 90.62 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -74.14 -26.3 60.24 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.216 -0.927 . . . . 0.0 112.259 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.79 -38.89 90.23 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.306 -0.871 . . . . 0.0 111.88 169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.63 -41.66 87.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.513 0.725 . . . . 0.0 111.339 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.27 -38.33 79.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.528 1.131 . . . . 0.0 112.905 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -74.27 -45.68 46.22 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.191 0.596 . . . . 0.0 111.574 174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 tp -58.9 -34.03 71.21 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.51 1.124 . . . . 0.0 112.585 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.02 -38.01 75.4 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.031 0.832 . . . . 0.0 113.15 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -89.3 -3.97 58.31 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -98.01 -10.79 23.83 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 170.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -29.88 66.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.179 1.391 . . . . 0.0 112.715 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.46 -27.86 68.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -18.52 42.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.715 1.206 . . . . 0.0 112.965 172.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mt -103.48 -5.59 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 126.477 1.911 . . . . 0.0 112.264 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -169.635 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp -54.92 -30.36 58.3 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.038 0.935 . . . . 0.0 112.634 172.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -53.05 -57.54 10.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.658 1.583 . . . . 0.0 112.866 169.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.61 98.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.209 1.004 . . . . 0.0 112.009 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.42 -51.33 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.782 0.833 . . . . 0.0 110.478 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.0 -38.79 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.132 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -62.36 -51.77 66.3 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.391 0.996 . . . . 0.0 111.922 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -62.46 -35.01 77.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.413 1.006 . . . . 0.0 112.783 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -64.06 -46.51 84.04 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.357 -0.839 . . . . 0.0 112.395 170.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -62.62 -35.33 79.21 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 112.477 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.3 mtp -57.41 -44.63 84.75 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.391 0.996 . . . . 0.0 112.221 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.76 -40.6 95.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.376 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -64.57 -42.72 95.46 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.405 0.682 . . . . 0.0 111.684 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -63.1 -47.04 84.54 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.059 0.943 . . . . 0.0 112.398 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -58.62 -44.75 90.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.894 0.77 . . . . 0.0 111.437 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -57.34 -50.33 73.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.839 0.856 . . . . 0.0 111.911 177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -71.78 -36.25 70.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.398 0.679 . . . . 0.0 112.646 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -69.85 -39.98 76.05 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.548 -0.72 . . . . 0.0 111.788 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -40.73 92.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.543 0.737 . . . . 0.0 112.125 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.51 -38.25 89.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.036 1.289 . . . . 0.0 112.314 174.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -60.73 -40.77 93.57 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.186 0.994 . . . . 0.0 112.64 171.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -72.03 -38.18 69.59 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.424 0.69 . . . . 0.0 112.415 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.64 -43.89 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 121.032 -1.043 . . . . 0.0 110.672 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.37 87.22 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -62.16 -51.5 67.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.311 0.959 . . . . 0.0 111.142 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.61 -37.19 85.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.574 0.749 . . . . 0.0 112.319 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -57.43 -30.45 64.99 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 173.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -67.0 -52.09 46.89 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.426 1.012 . . . . 0.0 111.087 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.52 -34.13 75.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 112.13 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 31.4 t -57.64 -26.45 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.238 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.64 -17.63 58.06 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 120.321 1.418 . . . . 0.0 116.471 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 129.73 35.62 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.239 1.52 . . . . 0.0 113.205 -168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 125.545 1.538 . . . . 0.0 112.042 179.608 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -16.78 64.5 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -170.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -63.82 -38.23 90.31 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.915 1.689 . . . . 0.0 111.629 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.1 71.07 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.356 1.062 . . . . 0.0 112.528 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.63 -42.35 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.464 1.106 . . . . 0.0 110.301 174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -55.53 -46.44 77.05 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.607 1.094 . . . . 0.0 110.516 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -59.93 -42.81 94.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.651 1.18 . . . . 0.0 112.423 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -62.88 -46.3 88.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.24 1.016 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 89.6 mtp -69.16 -36.38 77.33 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.832 0.853 . . . . 0.0 112.28 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.21 -46.9 88.17 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.752 . . . . 0.0 111.577 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.44 -34.07 77.43 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.31 -38.46 91.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.516 1.053 . . . . 0.0 112.221 173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -69.06 -31.23 69.84 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.836 -1.165 . . . . 0.0 112.534 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.62 -36.3 82.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.717 0.69 . . . . 0.0 112.321 170.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.45 -45.09 95.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.33 1.052 . . . . 0.0 110.849 170.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -61.09 -41.51 96.79 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.783 0.833 . . . . 0.0 112.456 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.7 -38.17 89.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.145 -0.972 . . . . 0.0 112.495 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -72.09 -31.18 65.83 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.007 -1.058 . . . . 0.0 113.408 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.05 -41.01 91.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.397 168.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.648 1.567 . . . . 0.0 111.472 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -59.26 -39.45 82.91 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.17 -0.956 . . . . 0.0 112.253 173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -70.9 -42.95 69.29 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.881 0.872 . . . . 0.0 112.894 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -60.59 -47.51 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.775 0.83 . . . . 0.0 110.414 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.76 91.51 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.086 0.857 . . . . 0.0 112.176 175.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 57.8 ttp85 -62.1 -47.75 83.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.999 0.92 . . . . 0.0 111.611 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.02 -39.19 83.2 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 112.62 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -59.92 -48.53 81.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.315 1.046 . . . . 0.0 111.272 171.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -57.29 -41.65 80.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.627 0.771 . . . . 0.0 112.047 173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.4 -33.89 76.54 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.5 -8.91 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 CA-C-N 119.773 1.17 . . . . 0.0 113.965 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.14 25.95 42.44 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.251 0.929 . . . . 0.0 114.818 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -97.26 149.92 21.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.362 1.081 . . . . 0.0 113.479 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.246 0.903 0 C-N-CA 126.972 2.109 . . . . 0.0 113.826 -177.323 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -79.74 -17.15 54.18 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.26 138.7 58.47 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.295 -0.878 . . . . 0.0 112.931 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.24 -14.2 63.0 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.3 1.429 . . . . 0.0 115.498 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 125.67 35.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.775 1.287 . . . . 0.0 111.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.63 116.29 24.65 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.132 -0.98 . . . . 0.0 112.266 -171.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -79.74 170.31 16.71 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.177 1.391 . . . . 0.0 111.667 161.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.46 59.1 0.98 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 -164.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.7 mt -133.13 -27.62 1.6 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.163 2.185 . . . . 0.0 112.534 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 p -50.92 -31.72 18.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 114.459 -173.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -57.1 -26.8 61.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.406 1.083 . . . . 0.0 113.709 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -64.25 -22.48 66.96 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -114.92 25.1 11.19 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.313 1.045 . . . . 0.0 112.315 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 p -69.66 -8.54 48.56 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.98 147.77 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 126.212 1.805 . . . . 0.0 111.887 -177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -77.38 130.58 37.29 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.463 1.105 . . . . 0.0 112.176 166.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -78.82 30.92 0.2 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.86 -42.08 92.88 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.696 -1.252 . . . . 0.0 113.431 -167.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -74.1 -29.1 61.68 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.656 -0.653 . . . . 0.0 112.063 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.86 -49.03 72.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.454 0.702 . . . . 0.0 109.391 171.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.2 mt -63.43 -38.44 91.17 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.078 0.951 . . . . 0.0 112.386 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.39 69.04 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.5 p -67.25 -24.15 65.77 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.7 mt -82.43 143.38 31.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.682 1.193 . . . . 0.0 113.184 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -65.35 162.32 17.83 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.423 166.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.42 77.46 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.57 -0.707 . . . . 0.0 112.408 176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -76.45 -24.24 53.91 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -68.48 -39.18 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.5 -1.375 . . . . 0.0 111.894 167.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -34.8 75.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.904 0.775 . . . . 0.0 112.628 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -65.72 -44.59 85.61 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.586 0.754 . . . . 0.0 111.327 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -64.71 -42.87 94.94 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.838 0.744 . . . . 0.0 111.967 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.91 -32.0 69.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.624 1.17 . . . . 0.0 113.087 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -72.0 -43.09 65.64 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.829 0.851 . . . . 0.0 112.639 172.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -60.84 -39.41 88.98 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.935 0.789 . . . . 0.0 111.334 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.23 -15.35 56.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.78 1.232 . . . . 0.0 113.973 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.45 -32.3 71.26 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.711 1.141 . . . . 0.0 112.025 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.41 -23.98 63.78 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.33 -37.01 29.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.312 -0.868 . . . . 0.0 112.012 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mm -62.62 -30.67 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 O-C-N 121.297 -0.877 . . . . 0.0 111.967 174.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.67 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.6 ttm -61.23 -30.15 70.26 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.767 0.827 . . . . 0.0 111.78 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -47.75 -56.31 7.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.626 1.971 . . . . 0.0 112.131 171.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.03 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.105 1.362 . . . . 0.0 112.966 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.71 -44.35 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.454 0.702 . . . . 0.0 110.829 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -63.7 -41.72 98.08 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.118 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -58.79 -53.21 60.94 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.45 1.023 . . . . 0.0 112.075 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -62.52 -37.45 86.11 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.793 0.724 . . . . 0.0 112.003 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.1 tpp -62.26 -53.63 52.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.552 0.614 . . . . 0.0 112.149 173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -66.26 -32.62 74.15 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.707 -0.621 . . . . 0.0 112.208 -175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 95.2 mmm -63.04 -43.6 98.22 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.62 0.646 . . . . 0.0 112.533 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.92 -31.72 73.01 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.26 0.937 . . . . 0.0 112.796 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.54 -39.64 67.35 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.982 0.913 . . . . 0.0 112.555 171.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.75 -40.1 96.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.253 1.021 . . . . 0.0 112.348 175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -55.81 -46.3 78.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.122 0.569 . . . . 0.0 111.487 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.07 -45.03 94.08 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.198 0.999 . . . . 0.0 111.45 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -60.14 -46.88 88.14 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.648 -0.658 . . . . 0.0 112.554 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -62.41 -45.44 93.12 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.452 0.701 . . . . 0.0 111.638 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.39 -43.11 86.75 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.671 0.788 . . . . 0.0 112.336 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.1 -32.63 74.27 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.057 1.299 . . . . 0.0 112.667 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -67.22 -43.39 82.15 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.159 0.891 . . . . 0.0 113.102 172.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.5 -41.16 89.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.582 1.083 . . . . 0.0 111.96 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -58.23 -45.14 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.74 91.2 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.011 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -54.16 -50.93 65.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.752 0.821 . . . . 0.0 111.293 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.35 -39.9 89.47 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 119.273 -0.394 . . . . 0.0 112.023 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.89 -33.93 75.11 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.013 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.8 -35.1 70.35 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.959 1.254 . . . . 0.0 112.893 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.27 -33.15 69.5 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.785 0.834 . . . . 0.0 112.816 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.09 -7.59 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 68.97 10.76 62.19 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.826 1.203 . . . . 0.0 115.084 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.92 138.0 57.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.034 1.334 . . . . 0.0 112.548 -171.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -165.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.954 0 N-CA-C 109.848 -1.301 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -3.06 24.39 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -60.17 -31.41 70.09 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.237 1.415 . . . . 0.0 114.046 -160.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.239 0.927 . . . . 0.0 113.269 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.04 -44.02 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.272 -0.892 . . . . 0.0 110.674 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.5 -40.01 85.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.124 0.569 . . . . 0.0 111.179 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -61.86 -49.53 75.89 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.119 1.367 . . . . 0.0 111.907 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -57.34 -43.0 83.02 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.891 1.223 . . . . 0.0 112.133 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 59.0 mtt -61.76 -47.62 84.39 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.145 0.884 . . . . 0.0 112.92 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.8 -40.1 95.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.58 0.752 . . . . 0.0 112.25 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 73.2 mtm -67.37 -42.46 83.39 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.207 -0.902 . . . . 0.0 111.733 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.3 mt -60.71 -45.39 94.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.757 1.162 . . . . 0.0 112.152 172.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.88 -39.72 74.88 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.531 0.732 . . . . 0.0 112.489 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 tp -73.03 -43.47 62.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.459 1.104 . . . . 0.0 112.171 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.35 -41.93 94.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.073 0.949 . . . . 0.0 111.747 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -65.0 -29.33 70.24 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.54 1.136 . . . . 0.0 112.617 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.62 -41.5 72.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.572 1.078 . . . . 0.0 112.801 171.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -64.71 -38.69 91.84 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.068 -1.02 . . . . 0.0 111.569 172.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.6 -43.88 95.63 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.235 1.014 . . . . 0.0 113.132 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.44 -38.87 81.84 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.953 1.252 . . . . 0.0 111.917 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -68.7 -40.43 80.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.761 0.824 . . . . 0.0 113.003 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -66.24 -39.6 89.63 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.235 -0.915 . . . . 0.0 112.025 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.1 -44.76 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.776 0.83 . . . . 0.0 110.706 170.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.11 87.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.938 0.79 . . . . 0.0 111.663 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -56.87 -49.81 74.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.783 0.833 . . . . 0.0 111.338 175.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 71.4 mt -66.58 -44.21 82.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.679 0.791 . . . . 0.0 112.692 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -58.53 -42.95 88.93 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.412 1.006 . . . . 0.0 111.887 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -70.5 -34.57 72.49 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.784 0.834 . . . . 0.0 112.821 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 54.6 tp -68.15 -39.15 82.71 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.198 0.999 . . . . 0.0 112.496 172.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.26 -31.93 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.152 1.381 . . . . 0.0 112.186 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.67 34.19 35.83 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-N 118.933 0.788 . . . . 0.0 112.707 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.36 159.94 30.48 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.959 1.704 . . . . 0.0 111.613 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.483 1.183 0 C-N-CA 125.4 1.48 . . . . 0.0 114.306 -176.336 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.4 p -64.04 161.23 16.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.014 1.726 . . . . 0.0 114.92 -172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -78.17 149.23 33.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.545 1.138 . . . . 0.0 111.432 165.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.65 153.18 14.41 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.038 0.827 . . . . 0.0 113.028 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -153.86 156.01 36.8 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.925 1.69 . . . . 0.0 109.744 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 57.52 59.71 3.17 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.456 1.502 . . . . 0.0 112.517 -172.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -78.1 136.38 37.87 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.315 1.446 . . . . 0.0 110.585 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.12 -149.74 50.42 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 123.824 0.726 . . . . 0.0 113.694 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.2 mt -84.45 146.99 27.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.871 0.869 . . . . 0.0 111.658 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -73.48 161.87 29.91 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.692 0.797 . . . . 0.0 112.607 175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -56.66 -38.67 72.51 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -158.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -104.43 12.55 33.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.584 1.154 . . . . 0.0 113.383 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -83.67 -24.4 31.34 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.141 1.377 . . . . 0.0 114.686 -173.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 p -68.27 120.97 15.27 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.552 -0.718 . . . . 0.0 111.391 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mm -75.12 126.9 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.674 0.79 . . . . 0.0 109.441 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.05 164.12 13.72 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.09 1.356 . . . . 0.0 112.425 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.29 140.36 37.59 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -73.23 -17.38 61.35 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -58.56 -27.56 64.7 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.072 0.949 . . . . 0.0 113.401 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.41 -37.16 82.46 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.82 0.848 . . . . 0.0 112.249 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.47 -45.68 21.52 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.423 1.089 . . . . 0.0 110.798 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -14.92 61.54 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.734 1.213 . . . . 0.0 114.05 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.9 m -75.37 -5.62 45.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.618 1.567 . . . . 0.0 114.677 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.63 147.49 26.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.896 1.278 . . . . 0.0 112.551 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -83.81 159.29 21.43 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.918 0.887 . . . . 0.0 112.544 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -37.3 65.39 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -72.21 -28.52 63.24 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.81 -44.65 69.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.86 1.264 . . . . 0.0 109.826 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.18 -19.38 65.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.971 1.309 . . . . 0.0 112.74 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -74.05 -43.01 59.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.362 0.983 . . . . 0.0 111.873 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CD ' HH12 ' A' ' 35' ' ' ARG . 51.5 tp10 -62.28 -44.09 97.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.162 0.585 . . . . 0.0 110.727 173.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -58.02 -37.64 74.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.112 0.965 . . . . 0.0 113.537 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.82 -32.45 73.65 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.564 -0.71 . . . . 0.0 112.574 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 HH12 ' CD ' ' A' ' 32' ' ' GLU . 17.9 ttp-105 -81.82 -37.57 26.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.386 0.675 . . . . 0.0 112.571 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' C' ' 5' ' ' LYS . 10.5 mm-40 -58.64 -35.02 71.85 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.74 -22.72 58.64 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.294 -0.879 . . . . 0.0 113.34 173.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -73.11 -14.73 61.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.576 1.08 . . . . 0.0 113.891 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -78.86 -19.64 51.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.137 0.975 . . . . 0.0 113.419 166.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -91.88 -31.53 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.585 1.154 . . . . 0.0 111.735 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 126.329 1.852 . . . . 0.0 111.479 176.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.872 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.1 tmm? -53.18 -43.92 67.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.293 1.047 . . . . 0.0 113.322 -173.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.31 -33.47 75.58 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.42 -43.44 49.81 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.651 1.18 . . . . 0.0 111.721 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 51.9 mt -56.04 -47.89 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.458 1.503 . . . . 0.0 109.872 171.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -60.51 -51.33 69.9 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.808 1.243 . . . . 0.0 111.465 172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.62 -44.99 85.91 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.906 1.23 . . . . 0.0 111.86 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -60.24 -44.31 95.34 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.572 1.149 . . . . 0.0 112.276 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttp -74.29 -38.13 63.47 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -72.57 -36.92 68.3 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 120.883 -1.135 . . . . 0.0 112.53 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 45.3 mtm -66.86 -24.53 66.14 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.723 1.147 . . . . 0.0 113.124 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -75.47 -40.83 56.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.543 0.737 . . . . 0.0 112.315 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.84 -36.1 78.25 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.31 -0.869 . . . . 0.0 111.718 170.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.74 -36.81 81.24 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -61.96 -46.17 90.46 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.37 0.987 . . . . 0.0 111.059 171.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -61.88 -38.57 88.79 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.327 -0.858 . . . . 0.0 112.708 174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.56 -44.86 96.26 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.547 1.139 . . . . 0.0 113.09 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.91 -46.18 79.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.573 0.349 . . . . 0.0 111.34 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.07 -42.87 96.82 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.289 0.636 . . . . 0.0 112.641 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -65.57 -31.21 72.13 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.319 1.418 . . . . 0.0 112.412 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -81.31 -23.0 38.15 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -73.41 -42.37 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.576 1.08 . . . . 0.0 110.88 167.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -53.21 -50.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.881 1.273 . . . . 0.0 109.981 168.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.54 96.26 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -58.33 -44.39 88.66 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.223 1.009 . . . . 0.0 111.255 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.28 -48.66 32.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.152 1.381 . . . . 0.0 111.884 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -56.55 -40.24 74.81 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -62.78 -28.05 69.72 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 mt -78.57 -23.64 45.97 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.878 1.271 . . . . 0.0 113.281 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.4 -9.64 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.532 1.533 . . . . 0.0 113.732 174.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.94 79.23 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.536 1.541 . . . . 0.0 116.319 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -71.28 -166.38 0.17 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.831 1.253 . . . . 0.0 112.846 173.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 126.576 1.95 . . . . 0.0 109.932 169.313 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.962 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -48.47 -47.2 38.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.385 1.474 . . . . 0.0 114.356 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.05 -21.38 63.57 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.45 -30.67 69.81 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.035 -1.041 . . . . 0.0 112.595 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.53 -44.5 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.599 1.16 . . . . 0.0 110.416 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 36' ' ' GLU . 15.0 pttt -63.36 -37.75 88.49 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.794 -0.566 . . . . 0.0 111.477 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -59.6 -43.4 93.72 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.248 . . . . 0.0 112.422 169.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.52 -43.04 95.31 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.914 0.779 . . . . 0.0 112.29 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ttt -66.33 -38.55 87.92 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.099 0.863 . . . . 0.0 112.337 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -59.76 -46.71 88.32 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.936 0.789 . . . . 0.0 111.787 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 52.8 ttm -57.6 -42.79 83.93 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.209 0.604 . . . . 0.0 111.718 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.24 -34.99 79.26 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.943 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -68.62 -38.6 80.67 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.734 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.6 mt -68.01 -39.36 83.22 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.951 0.9 . . . . 0.0 112.12 172.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.26 -37.18 82.18 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.694 -0.629 . . . . 0.0 112.148 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -59.53 -47.56 85.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.545 0.738 . . . . 0.0 111.605 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -61.88 -42.77 99.46 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.733 1.213 . . . . 0.0 112.724 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -61.43 -48.11 82.67 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.397 -0.815 . . . . 0.0 111.89 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.16 -40.53 90.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.418 0.687 . . . . 0.0 111.977 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.59 -8.04 57.26 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.636 1.107 . . . . 0.0 113.437 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -85.01 -40.92 16.31 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 111.967 160.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.05 -41.71 94.92 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.592 -1.317 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 65.5 t -60.14 -41.18 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.002 -1.061 . . . . 0.0 111.181 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.93 94.28 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.379 -0.826 . . . . 0.0 112.115 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -59.63 -48.64 80.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.481 -0.762 . . . . 0.0 111.454 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.62 -40.26 92.41 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.23 0.612 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.38 -35.53 81.25 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 118.04 -0.981 . . . . 0.0 112.061 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.72 -43.89 91.97 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.908 1.231 . . . . 0.0 112.4 168.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.56 -39.26 93.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.727 0.811 . . . . 0.0 112.535 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 92.3 t -70.87 -43.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.837 -0.539 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.17 17.75 62.17 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.191 0.836 . . . . 0.0 115.191 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -116.65 -161.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.018 1.727 . . . . 0.0 112.531 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 126.667 1.987 . . . . 0.0 111.736 -167.07 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.1 p 41.86 54.53 3.91 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.382 1.873 . . . . 0.0 114.579 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.43 155.87 31.51 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.19 170.64 15.02 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.815 1.674 . . . . 0.0 113.586 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -47.76 107.2 0.11 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.661 1.184 . . . . 0.0 112.562 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 52.57 18.07 0.91 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.942 2.497 . . . . 0.0 115.426 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -69.17 -10.54 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.16 5.0 81.93 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-O 118.208 -1.329 . . . . 0.0 115.186 167.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.0 mt -134.36 177.11 8.01 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.442 1.897 . . . . 0.0 112.196 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t -53.65 151.61 5.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.477 1.911 . . . . 0.0 114.349 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.47 -22.08 41.44 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -84.98 -12.15 53.91 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.51 -11.31 59.84 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.848 1.204 . . . . 0.0 113.538 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -64.87 -13.61 56.92 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.6 mt -136.12 132.52 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.467 1.507 . . . . 0.0 109.68 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -62.21 153.13 31.34 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.829 1.651 . . . . 0.0 114.348 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -94.75 -21.38 18.78 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.96 -46.3 82.26 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.6 -17.68 62.27 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 mt -85.23 -29.64 24.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.267 1.027 . . . . 0.0 112.674 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.7 mt -85.02 -33.19 22.57 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.737 1.615 . . . . 0.0 114.977 -175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.63 63.75 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -159.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 p -92.96 -10.42 36.44 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.817 1.647 . . . . 0.0 115.24 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.35 140.95 45.16 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -164.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -66.67 160.3 25.83 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 111.419 164.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.35 74.94 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.136 -0.978 . . . . 0.0 112.245 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -56.47 -49.4 74.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.57 1.548 . . . . 0.0 112.113 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -68.07 -31.95 71.94 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.8 mt -68.63 -39.64 80.69 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.595 -0.69 . . . . 0.0 111.561 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -69.37 -30.48 68.48 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.682 1.128 . . . . 0.0 112.55 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -64.2 -27.67 69.22 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.615 1.166 . . . . 0.0 112.826 167.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.1 mt -78.32 -38.59 41.89 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.778 -1.201 . . . . 0.0 111.874 167.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -61.72 -25.19 67.28 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.343 -0.848 . . . . 0.0 112.885 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -58.6 -30.73 67.44 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.025 1.33 . . . . 0.0 113.243 171.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.46 4.66 42.45 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.779 0.832 . . . . 0.0 113.15 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.74 13.3 6.9 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.318 1.847 . . . . 0.0 113.098 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.41 -41.64 94.34 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.465 1.906 . . . . 0.0 111.664 175.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.58 82.28 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 110.056 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.98 -18.57 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 126.121 1.768 . . . . 0.0 113.274 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.13 0 N-CA-C 112.124 -0.391 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp -53.47 -40.97 65.7 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.022 1.329 . . . . 0.0 113.307 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -63.43 -46.23 87.31 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.4 84.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.524 -0.735 . . . . 0.0 112.545 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.87 -47.51 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 123.705 0.802 . . . . 0.0 110.05 175.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -59.37 -47.08 86.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.086 0.857 . . . . 0.0 112.416 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.21 -39.27 94.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.976 0.91 . . . . 0.0 112.565 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.44 -48.35 73.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.405 1.082 . . . . 0.0 112.779 170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.9 mtm -59.35 -36.49 75.8 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.811 0.732 . . . . 0.0 111.854 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -61.25 -37.79 84.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.85 0.75 . . . . 0.0 112.449 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 67.0 mtm -62.71 -43.26 99.27 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.983 1.265 . . . . 0.0 112.096 172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.96 -37.86 87.08 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -61.21 -46.26 91.19 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.686 1.194 . . . . 0.0 111.436 171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -66.42 -41.53 89.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.089 0.955 . . . . 0.0 112.447 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -59.24 -45.52 90.96 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.624 1.102 . . . . 0.0 111.897 170.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -65.75 -32.55 74.16 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.231 -0.918 . . . . 0.0 113.143 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -69.65 -48.85 58.41 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.695 1.198 . . . . 0.0 111.619 170.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -61.72 -39.4 91.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.272 1.429 . . . . 0.0 113.029 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.7 mt -67.57 -39.57 84.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.454 0.702 . . . . 0.0 112.634 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -31.44 71.57 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.023 -1.048 . . . . 0.0 112.687 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -68.57 -38.51 80.77 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.416 -0.802 . . . . 0.0 112.567 170.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -70.08 -40.58 74.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.781 1.233 . . . . 0.0 112.072 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.6 -42.16 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.161 -0.962 . . . . 0.0 110.869 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.75 74.04 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -68.0 -53.13 28.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.981 0.912 . . . . 0.0 111.44 170.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.47 -35.3 80.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.084 0.954 . . . . 0.0 112.642 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -53.68 -49.27 68.37 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.928 0.891 . . . . 0.0 112.348 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -62.32 -40.87 97.77 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.959 0.8 . . . . 0.0 112.418 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.0 -38.94 79.57 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.991 1.317 . . . . 0.0 113.137 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.8 -15.79 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.62 8.48 40.13 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.504 1.526 . . . . 0.0 116.187 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.29 158.92 32.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.238 1.519 . . . . 0.0 112.716 170.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 C--O 1.25 1.114 0 C-N-CA 125.605 1.562 . . . . 0.0 112.778 172.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.638 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -74.1 -50.68 18.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -149.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.8 -36.79 70.31 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.677 1.126 . . . . 0.0 113.934 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.61 82.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.056 0.542 . . . . 0.0 112.395 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.29 -45.2 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.613 0.765 . . . . 0.0 109.818 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -57.12 -45.92 83.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.598 0.759 . . . . 0.0 111.41 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.89 -49.27 77.29 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 111.859 173.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.94 -43.77 94.76 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.977 0.911 . . . . 0.0 112.02 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 65.6 mtm -68.3 -42.95 78.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.38 -42.06 98.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.611 1.096 . . . . 0.0 112.011 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 69.2 mtp -59.65 -45.19 92.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.702 0.683 . . . . 0.0 112.404 172.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 tp -61.51 -43.46 98.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.258 1.023 . . . . 0.0 112.569 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -66.34 -39.91 89.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.599 0.76 . . . . 0.0 112.079 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.07 -41.66 86.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 112.506 175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.54 -40.23 96.47 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.513 -0.756 . . . . 0.0 112.311 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -65.76 -39.89 91.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.799 1.181 . . . . 0.0 111.977 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.38 -40.35 94.01 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.651 0.781 . . . . 0.0 112.346 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -64.57 -48.54 74.62 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.249 -0.907 . . . . 0.0 112.113 170.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.0 -45.5 85.32 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.555 1.142 . . . . 0.0 113.226 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.17 -37.26 86.8 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.442 1.473 . . . . 0.0 111.413 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -64.94 -38.15 90.02 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.271 -0.893 . . . . 0.0 112.981 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.91 -43.75 74.57 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.922 -1.111 . . . . 0.0 111.345 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.59 -47.1 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.743 1.217 . . . . 0.0 111.301 173.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.95 98.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.215 0.916 . . . . 0.0 112.144 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttp85 -63.52 -41.81 98.47 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.492 1.117 . . . . 0.0 112.401 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 81.3 mt -69.66 -41.82 75.04 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 125.002 1.321 . . . . 0.0 112.701 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.71 -50.99 70.55 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.183 0.901 . . . . 0.0 110.795 173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -58.64 -42.96 89.53 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.438 1.095 . . . . 0.0 112.945 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.19 -48.84 79.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.44 0.696 . . . . 0.0 112.669 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.24 -10.22 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.51 13.2 76.62 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.984 1.278 . . . . 0.0 114.909 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.4 151.52 46.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.605 1.203 . . . . 0.0 111.253 172.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.671 -1.157 . . . . 0.0 112.911 -178.372 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.574 0.226 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -145.02 48.97 1.28 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.41 1.084 . . . . 0.0 110.362 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -72.87 123.52 23.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.917 -1.114 . . . . 0.0 111.47 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.62 -148.62 5.65 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.961 1.743 . . . . 0.0 111.511 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -66.18 -23.14 66.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -77.49 117.41 18.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.542 1.137 . . . . 0.0 110.671 175.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -91.02 162.93 14.5 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.05 1.34 . . . . 0.0 112.582 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.07 33.31 57.35 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 114.691 0.636 . . . . 0.0 114.691 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.6 139.74 55.53 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 117.952 0.876 . . . . 0.0 111.995 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 t -62.42 154.7 27.49 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 114.166 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -60.02 -16.16 28.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.48 1.112 . . . . 0.0 113.871 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -82.41 -18.12 43.04 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.531 1.132 . . . . 0.0 112.857 170.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -83.54 -27.05 29.6 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.606 -1.309 . . . . 0.0 112.333 169.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.8 m -68.67 36.42 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.952 1.701 . . . . 0.0 113.669 168.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.9 122.65 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.057 2.143 . . . . 0.0 108.122 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -73.83 107.62 6.17 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.237 1.415 . . . . 0.0 111.978 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -85.52 -10.99 55.24 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -79.49 -42.56 24.96 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.908 0.883 . . . . 0.0 111.793 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.07 -19.89 56.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.305 -0.872 . . . . 0.0 113.069 174.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.05 -20.31 65.84 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.22 -0.925 . . . . 0.0 113.021 169.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.04 -20.44 57.93 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.059 -1.026 . . . . 0.0 113.734 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.19 -13.0 23.11 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 170.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.6 p -85.35 1.31 49.05 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -124.25 141.24 52.23 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.897 1.279 . . . . 0.0 113.006 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -74.23 166.22 23.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.537 1.135 . . . . 0.0 113.741 177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.61 -29.66 62.4 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -72.18 -46.15 57.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.357 1.063 . . . . 0.0 112.433 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -64.53 -36.23 83.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.216 -0.928 . . . . 0.0 111.772 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.71 -37.01 83.84 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.471 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -65.28 -33.65 76.47 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.826 1.194 . . . . 0.0 111.964 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -71.2 -34.81 71.2 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.11 -36.79 75.09 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 171.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -63.23 -40.14 96.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.241 0.928 . . . . 0.0 111.198 171.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -63.5 -17.04 62.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.292 1.437 . . . . 0.0 114.037 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -84.29 -38.56 20.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.967 0.907 . . . . 0.0 112.588 168.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -77.89 0.77 22.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.018 1.327 . . . . 0.0 113.605 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -71.98 -1.08 13.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.974 1.709 . . . . 0.0 114.986 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -75.87 -7.31 54.21 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.754 1.622 . . . . 0.0 113.537 164.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.31 -14.4 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 125.746 1.619 . . . . 0.0 113.392 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -174.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 CA-C-O 118.038 -1.423 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm -58.91 -31.64 68.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.549 1.674 . . . . 0.0 113.221 -172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.54 -34.91 65.12 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.174 1.39 . . . . 0.0 112.946 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.11 77.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.744 0.702 . . . . 0.0 112.021 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.7 -49.95 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.57 -0.706 . . . . 0.0 109.483 170.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -60.45 -32.04 71.0 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.97 -50.78 8.21 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.402 1.481 . . . . 0.0 113.302 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -65.65 -31.86 73.11 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 120.179 1.354 . . . . 0.0 112.271 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.9 ttp -66.56 -39.02 88.3 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.408 1.004 . . . . 0.0 112.805 170.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -63.42 -43.99 95.88 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.743 0.702 . . . . 0.0 111.393 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.4 mmm -58.84 -41.09 86.1 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.473 0.709 . . . . 0.0 112.599 172.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.19 -35.0 79.29 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.29 -34.74 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.755 0.822 . . . . 0.0 113.042 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.27 -33.5 74.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.74 -52.09 67.18 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.098 0.863 . . . . 0.0 111.022 166.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -64.01 -42.39 97.16 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.231 1.012 . . . . 0.0 112.605 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -58.73 -31.47 68.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.708 1.203 . . . . 0.0 113.078 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -81.64 -48.91 11.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.659 1.184 . . . . 0.0 111.913 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.55 -39.83 92.49 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.84 -41.86 96.65 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.14 1.336 . . . . 0.0 111.628 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -69.88 -43.02 72.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.431 1.092 . . . . 0.0 112.3 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -69.35 -40.46 77.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.534 -0.729 . . . . 0.0 112.174 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.31 -39.92 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.289 -0.882 . . . . 0.0 110.868 171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.84 98.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.28 0.946 . . . . 0.0 112.323 173.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -58.81 -48.4 81.42 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.103 0.865 . . . . 0.0 111.351 173.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.06 -40.82 87.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.763 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -58.36 -43.93 88.58 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.951 1.25 . . . . 0.0 111.633 171.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -65.21 -43.0 92.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.115 0.966 . . . . 0.0 111.582 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.1 -41.91 97.11 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.851 1.26 . . . . 0.0 113.453 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.98 -27.38 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.053 1.341 . . . . 0.0 112.365 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.42 33.78 34.15 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.382 0.515 . . . . 0.0 112.81 -171.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.01 176.12 9.5 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.771 1.628 . . . . 0.0 111.846 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 . . . . . 0 C--O 1.247 0.948 0 C-N-CA 125.834 1.654 . . . . 0.0 111.797 174.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.904 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -48.2 -40.7 25.03 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.059 1.344 . . . . 0.0 112.453 169.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.41 -33.74 66.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.18 93.74 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.457 1.026 . . . . 0.0 111.986 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.02 -40.94 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.67 -0.644 . . . . 0.0 109.948 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -58.57 -47.45 84.21 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.098 0.959 . . . . 0.0 111.849 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -57.72 -46.67 84.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.605 1.562 . . . . 0.0 111.712 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -59.89 -40.22 88.02 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.521 0.728 . . . . 0.0 111.977 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' MET . . . . . . . . . . . . . 36.8 mmt -70.45 -38.87 74.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -62.71 -44.6 95.8 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.818 1.19 . . . . 0.0 111.7 171.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 60.7 tpp -60.24 -41.13 92.52 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.709 -0.619 . . . . 0.0 112.339 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.39 -36.95 79.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.41 -0.806 . . . . 0.0 112.964 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.95 -39.44 93.5 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.227 -0.921 . . . . 0.0 112.002 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.48 -39.01 88.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.657 0.783 . . . . 0.0 112.506 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.33 -46.82 88.66 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.046 0.839 . . . . 0.0 111.595 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.26 -42.19 99.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.507 -0.746 . . . . 0.0 112.53 174.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -62.03 -39.55 92.7 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.769 0.827 . . . . 0.0 112.678 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.22 -50.55 69.82 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.619 0.768 . . . . 0.0 110.7 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.43 -39.14 92.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -23.11 67.19 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.168 1.349 . . . . 0.0 112.534 174.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -91.16 -27.56 18.44 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.311 1.044 . . . . 0.0 113.551 172.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -65.59 -38.98 91.06 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.142 1.337 . . . . 0.0 111.724 165.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -55.78 -45.06 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.413 -0.804 . . . . 0.0 110.643 167.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.98 99.91 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.172 0.896 . . . . 0.0 112.896 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -59.75 -46.73 88.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.078 0.951 . . . . 0.0 111.68 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 mt -70.06 -39.02 75.9 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.374 0.67 . . . . 0.0 111.837 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -58.64 -45.02 90.21 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.274 -0.891 . . . . 0.0 112.19 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -58.18 -31.53 67.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.612 0.765 . . . . 0.0 112.801 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.99 -39.08 61.44 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.332 0.969 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.49 -32.15 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.557 1.143 . . . . 0.0 112.994 176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.35 60.14 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.431 1.015 . . . . 0.0 113.596 -164.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.29 154.48 35.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.019 1.327 . . . . 0.0 111.728 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ARG . . . . . . . . . . . . . 39.7 mtm180 . . . . . 0 C--O 1.247 0.943 0 C-N-CA 125.623 1.569 . . . . 0.0 114.783 -164.584 . . . . . . . . 0 0 . 1 stop_ save_