data_2d2p_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2d2p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 119.802 -0.142 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 119.777 -0.154 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.252 0.093 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 110.819 -0.067 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.185 0.069 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 110.878 -0.045 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.401 0.143 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 119.377 -0.345 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.501 0.191 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -157.01 167.4 30.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.6 1.56 . . . . 0.0 111.161 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.78 -21.12 62.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 65.14 0.15 Allowed Glycine 0 C--N 1.334 0.459 0 N-CA-C 106.806 -2.518 . . . . 0.0 106.806 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -43.48 -28.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 129.201 3.0 . . . . 0.0 114.136 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -52.07 -24.48 6.87 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.775 2.03 . . . . 0.0 113.402 170.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.1 m -65.7 -19.65 65.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.939 1.295 . . . . 0.0 113.254 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -118.12 -29.81 5.48 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 113.587 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -59.83 -26.61 65.95 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.383 0.538 . . . . 0.0 111.867 169.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.58 -42.98 95.27 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.404 1.082 . . . . 0.0 111.739 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.9 t -64.02 -40.89 97.34 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.803 0.841 . . . . 0.0 112.144 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -58.28 -37.69 75.51 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.82 -36.46 56.87 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -60.94 -25.75 67.01 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.375 1.443 . . . . 0.0 114.179 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -67.89 -39.24 83.7 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.896 0.878 . . . . 0.0 111.968 170.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -65.3 -39.7 92.85 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.161 0.984 . . . . 0.0 111.121 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.08 -29.12 73.41 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -69.65 -35.51 75.24 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.632 1.716 . . . . 0.0 111.783 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -84.64 -25.44 28.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.926 1.291 . . . . 0.0 113.28 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.15 -34.75 68.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.839 0.856 . . . . 0.0 112.435 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -62.08 -48.98 77.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 123.043 1.401 . . . . 0.0 111.713 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.28 -51.01 70.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.234 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.17 -12.77 30.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.287 1.435 . . . . 0.0 114.739 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.09 -47.35 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.593 1.157 . . . . 0.0 111.376 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.62 -21.96 66.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.937 1.244 . . . . 0.0 114.165 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -77.0 -9.13 58.49 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.837 1.655 . . . . 0.0 114.122 171.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -128.65 -26.86 2.66 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.241 1.416 . . . . 0.0 114.308 -169.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.605 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.499 0.19 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -132.65 13.19 4.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.668 1.187 . . . . 0.0 113.736 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.66 -29.8 70.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.939 1.296 . . . . 0.0 113.966 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.86 -36.94 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.854 1.216 . . . . 0.0 115.147 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mm -51.13 -34.53 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.796 1.638 . . . . 0.0 113.122 170.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.41 -30.37 70.1 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.119 0.968 . . . . 0.0 112.185 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -81.19 -35.55 31.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 111.957 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -67.1 -36.76 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -65.48 -25.36 67.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.284 0.634 . . . . 0.0 112.529 172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -74.89 -39.53 61.44 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.653 -0.654 . . . . 0.0 111.776 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 m -62.74 -29.87 71.0 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.117 -0.989 . . . . 0.0 113.019 170.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -70.0 -37.85 75.82 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.888 0.875 . . . . 0.0 112.015 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.55 -35.64 80.72 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -53.99 -28.15 36.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.18 -39.45 82.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.596 0.758 . . . . 0.0 112.079 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -67.24 -38.24 84.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.473 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.14 -33.27 51.44 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.56 -29.43 67.99 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.962 1.381 . . . . 0.0 112.218 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -85.54 -38.97 17.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.058 1.343 . . . . 0.0 113.24 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.58 -34.1 66.83 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.141 0.977 . . . . 0.0 112.782 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -68.16 -44.1 76.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.963 0.887 . . . . 0.0 112.814 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -64.02 -46.86 82.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.17 1.388 . . . . 0.0 112.242 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -61.77 -18.09 58.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.779 1.232 . . . . 0.0 114.128 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 t -93.44 -34.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.952 1.301 . . . . 0.0 111.995 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.07 -38.81 66.31 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.147 0.885 . . . . 0.0 113.353 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -34.0 45.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.474 1.109 . . . . 0.0 112.693 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . 0.289 0.2 OUTLIER 33.56 42.56 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.563 3.145 . . . . 0.0 117.23 174.299 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -67.69 0.55 3.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.256 1.822 . . . . 0.0 115.564 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.55 -33.29 65.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.068 1.747 . . . . 0.0 113.676 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.23 -38.74 0.14 Allowed Glycine 0 N--CA 1.469 0.866 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -32.77 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 126.713 2.005 . . . . 0.0 112.799 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.44 -35.53 63.06 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.446 1.098 . . . . 0.0 111.874 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -76.03 -20.49 57.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -81.65 -41.98 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.982 0.513 . . . . 0.0 112.26 171.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 t -62.4 -36.43 82.31 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 0.0 111.372 173.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.84 -48.8 80.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.627 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 t -59.46 -42.65 92.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.507 0.723 . . . . 0.0 112.131 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.5 1.52 . . . . 0.0 113.229 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.72 97.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 171.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -65.73 -21.0 66.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -66.75 -41.55 87.59 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.891 1.223 . . . . 0.0 111.704 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -65.44 -38.05 88.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.497 0.719 . . . . 0.0 111.427 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.44 -24.11 65.42 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.35 -32.25 72.14 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.156 1.978 . . . . 0.0 112.44 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -77.22 -27.33 53.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.265 1.026 . . . . 0.0 113.294 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.02 -28.78 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.805 0.73 . . . . 0.0 112.798 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -63.1 -49.0 76.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.026 0.93 . . . . 0.0 110.609 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -54.18 -48.96 70.39 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.198 1.399 . . . . 0.0 112.855 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -63.95 -12.73 40.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.94 -38.37 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.845 1.258 . . . . 0.0 111.105 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.28 -27.59 67.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.797 1.239 . . . . 0.0 113.126 169.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -62.51 -12.99 25.68 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.582 1.953 . . . . 0.0 114.515 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -128.08 6.14 5.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.672 1.989 . . . . 0.0 113.34 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.393 -1.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m 55.96 18.55 3.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.095 1.758 . . . . 0.0 115.494 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -95.69 -28.42 14.81 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.156 1.782 . . . . 0.0 114.152 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.473 1.106 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -33.52 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.69 1.596 . . . . 0.0 113.029 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -64.55 -32.32 73.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.897 1.279 . . . . 0.0 112.211 176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.0 m -81.21 -28.96 34.68 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.44 1.096 . . . . 0.0 112.519 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.43 -35.68 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -65.21 -26.22 68.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 112.268 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -79.59 -40.59 29.03 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.81 0.844 . . . . 0.0 111.412 169.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -56.44 -35.34 67.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.22 1.008 . . . . 0.0 112.758 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -29.11 18.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.656 1.982 . . . . 0.0 115.301 169.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -87.2 -37.44 17.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.35 -31.98 67.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.799 0.84 . . . . 0.0 113.204 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -69.83 -38.98 76.73 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.73 81.48 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.45 -36.85 81.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.521 1.661 . . . . 0.0 111.641 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -74.57 -28.15 60.8 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.155 0.982 . . . . 0.0 113.013 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.93 -33.17 71.53 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.667 -0.645 . . . . 0.0 112.424 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -63.75 -45.17 91.04 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.755 1.264 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.63 -48.93 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.893 -1.958 . . . . 0.0 112.152 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.45 -13.44 40.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 174.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.66 -39.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.823 1.249 . . . . 0.0 111.224 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.09 -28.9 68.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.561 1.144 . . . . 0.0 113.168 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -64.26 -12.37 40.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.578 1.951 . . . . 0.0 114.426 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.62 5.22 5.58 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 113.282 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.352 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.688 -0.115 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -129.32 17.53 5.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.401 1.48 . . . . 0.0 112.869 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.55 -32.44 73.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.976 1.31 . . . . 0.0 113.711 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -35.15 0.17 Allowed Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.434 1.016 . . . . 0.0 115.236 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.36 -30.24 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 128.16 2.584 . . . . 0.0 113.412 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.18 -33.68 53.66 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.317 1.047 . . . . 0.0 112.245 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -69.29 -22.52 63.8 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.624 1.169 . . . . 0.0 113.39 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -84.29 -41.66 16.62 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.801 0.84 . . . . 0.0 112.501 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -67.4 -34.7 77.79 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.032 0.533 . . . . 0.0 111.137 169.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -60.23 -43.26 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.367 -0.833 . . . . 0.0 111.136 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -64.83 -33.92 77.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.249 1.02 . . . . 0.0 113.145 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -61.94 -33.64 74.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.162 0.985 . . . . 0.0 113.464 171.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -75.28 -33.2 61.21 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -56.18 -41.62 75.78 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.234 1.379 . . . . 0.0 113.425 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.03 -34.69 75.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.483 0.713 . . . . 0.0 112.776 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -70.98 -39.51 72.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.577 0.751 . . . . 0.0 111.252 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.56 -36.23 90.94 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -64.07 -41.88 97.19 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.978 1.389 . . . . 0.0 110.845 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -75.01 -34.17 61.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.04 -33.65 67.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.317 1.047 . . . . 0.0 112.565 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.31 -53.53 12.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.81 1.244 . . . . 0.0 110.966 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -54.14 -47.29 72.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.402 1.081 . . . . 0.0 113.326 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.41 -12.49 9.58 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.58 1.552 . . . . 0.0 115.052 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.2 t -109.01 -40.45 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.284 1.434 . . . . 0.0 111.314 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.3 -29.64 69.99 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.291 1.037 . . . . 0.0 113.625 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.69 -17.14 64.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.247 1.419 . . . . 0.0 114.307 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -79.06 -10.86 59.95 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.073 1.349 . . . . 0.0 113.666 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.664 0.269 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -149.39 126.12 11.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.666 1.586 . . . . 0.0 110.468 174.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.83 -38.84 92.58 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -175.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.17 -32.07 1.41 Allowed Glycine 0 N--CA 1.472 1.067 0 C-N-CA 124.501 1.048 . . . . 0.0 115.209 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.5 mm -50.9 -31.84 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 127.805 2.442 . . . . 0.0 113.268 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.53 -32.74 67.36 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.923 1.289 . . . . 0.0 112.065 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -79.4 -11.7 59.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -112.14 -26.8 8.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.224 1.41 . . . . 0.0 112.595 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -62.26 -26.51 68.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.244 0.618 . . . . 0.0 110.967 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -65.96 -46.41 78.2 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.835 0.854 . . . . 0.0 111.05 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -65.35 -23.09 66.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.347 1.459 . . . . 0.0 113.615 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.35 -43.55 49.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.574 1.15 . . . . 0.0 111.426 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.4 -37.18 74.42 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -25.27 65.96 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.925 -1.109 . . . . 0.0 113.917 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.19 -33.37 65.36 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.314 1.045 . . . . 0.0 112.799 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -66.57 -42.41 87.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 171.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -34.03 60.07 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.19 -35.19 79.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.117 1.459 . . . . 0.0 112.169 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -80.2 -30.68 38.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 112.311 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.78 -30.27 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.224 1.01 . . . . 0.0 112.841 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.17 -52.81 60.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.193 0.997 . . . . 0.0 110.531 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.25 -46.05 91.15 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.578 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.59 -14.51 30.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.799 1.64 . . . . 0.0 114.546 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -100.12 -42.54 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.936 1.294 . . . . 0.0 111.18 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -60.4 -28.85 68.57 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.9 -13.93 62.73 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 114.328 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.11 0.12 5.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.143 1.777 . . . . 0.0 113.779 -170.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.474 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.604 0.24 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -74.36 11.01 1.06 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.211 1.805 . . . . 0.0 115.234 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.93 -31.08 38.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.774 2.03 . . . . 0.0 115.51 -170.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.45 29.73 2.87 Favored Glycine 0 N--CA 1.469 0.881 0 C-N-CA 125.545 1.545 . . . . 0.0 113.901 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm 43.04 -41.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.405 1 C-N-CA 136.848 6.059 . . . . 0.0 118.304 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -59.46 -26.51 65.29 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 126.563 1.945 . . . . 0.0 112.187 171.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -65.39 -29.48 70.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.214 1.405 . . . . 0.0 113.232 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.25 -39.72 18.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.314 0.646 . . . . 0.0 112.502 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -63.11 -29.86 71.14 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 170.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -70.22 -45.25 66.92 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.656 0.782 . . . . 0.0 111.662 169.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -59.13 -39.36 82.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.557 0.743 . . . . 0.0 112.539 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -62.7 -29.33 70.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.956 2.102 . . . . 0.0 114.6 172.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -87.05 -39.22 15.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.26 1.024 . . . . 0.0 112.923 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.36 -32.9 70.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.507 1.923 . . . . 0.0 113.216 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -71.39 -25.87 62.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -78.65 -37.74 41.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.961 0.904 . . . . 0.0 111.185 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.16 83.84 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.05 -36.16 81.44 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.843 1.322 . . . . 0.0 111.475 173.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -78.35 -30.0 47.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.365 1.066 . . . . 0.0 113.169 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -58.88 -31.81 68.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.678 0.791 . . . . 0.0 112.649 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.12 -53.16 41.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.527 1.131 . . . . 0.0 111.035 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -54.27 -47.09 72.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.95 1.3 . . . . 0.0 113.067 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.15 -12.56 28.54 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -100.26 -38.49 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.869 1.268 . . . . 0.0 111.113 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.86 -28.64 67.7 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 0.0 113.069 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.84 -11.97 21.62 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.872 2.069 . . . . 0.0 114.514 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -125.42 5.1 7.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.545 1.938 . . . . 0.0 113.3 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 120.388 -1.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -153.06 107.64 3.15 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.678 1.191 . . . . 0.0 110.989 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.41 -34.77 68.1 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.523 0.729 . . . . 0.0 111.697 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.88 55.76 0.04 OUTLIER Glycine 0 CA--C 1.523 0.576 0 C-N-CA 126.975 2.226 . . . . 0.0 109.908 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.5 mt -53.67 -39.99 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.255 1.022 . . . . 0.0 110.963 171.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.34 -20.44 66.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.683 1.993 . . . . 0.0 113.301 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -90.97 0.68 57.47 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.117 1.367 . . . . 0.0 112.365 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -131.47 -37.12 1.23 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.58 1.152 . . . . 0.0 113.881 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -60.15 -27.89 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.443 0.639 . . . . 0.0 111.286 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.2 -49.36 74.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.853 1.261 . . . . 0.0 111.678 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 m -66.63 -33.48 75.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.195 1.398 . . . . 0.0 113.063 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -59.13 -32.48 69.89 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.323 1.449 . . . . 0.0 112.932 169.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -82.38 -34.34 28.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.436 0.694 . . . . 0.0 112.369 172.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.02 -43.77 91.63 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.633 -1.292 . . . . 0.0 112.438 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -72.65 -27.34 62.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -81.76 -34.62 30.33 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.221 0.464 . . . . 0.0 111.359 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.2 -31.41 62.15 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.157 1.478 . . . . 0.0 111.838 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.79 -31.81 23.7 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.456 1.503 . . . . 0.0 112.203 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -56.99 -29.99 63.75 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.6 1.16 . . . . 0.0 113.05 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -61.79 -51.23 69.13 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.495 1.14 . . . . 0.0 110.619 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -65.42 -46.01 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.935 -1.484 . . . . 0.0 112.626 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -62.75 -16.8 59.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.142 1.377 . . . . 0.0 113.989 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 t -89.56 -44.33 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.134 . . . . 0.0 110.925 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.58 -28.06 69.08 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 172.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -69.35 -9.95 55.72 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.214 1.806 . . . . 0.0 114.343 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -130.45 4.69 4.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.446 1.898 . . . . 0.0 113.576 -173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.396 0.141 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -64.22 157.39 25.91 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 112.726 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -151.74 -52.82 0.12 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 112.21 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.12 1.02 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.898 1.237 . . . . 0.0 113.473 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -54.42 -28.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 127.605 2.362 . . . . 0.0 113.339 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.84 -34.36 53.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.592 1.157 . . . . 0.0 111.915 171.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.5 -29.74 61.53 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.529 1.132 . . . . 0.0 112.891 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.02 -39.17 42.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 112.616 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -61.71 -29.71 70.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.992 0.517 . . . . 0.0 112.088 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -78.89 -38.4 37.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.777 0.831 . . . . 0.0 112.823 170.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -61.28 -33.69 73.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -21.93 9.84 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.598 1.959 . . . . 0.0 115.86 170.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -87.16 -23.39 24.83 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 171.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -63.1 -33.77 76.18 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.303 1.411 . . . . 0.0 112.381 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.17 -33.21 69.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.034 0.933 . . . . 0.0 113.046 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.96 -39.97 83.29 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 110.819 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.92 -33.1 59.89 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.08 -30.47 70.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.455 1.627 . . . . 0.0 112.249 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -84.77 -26.84 27.29 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.46 1.104 . . . . 0.0 112.924 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -64.66 -24.6 67.63 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.35 -48.23 82.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.498 1.119 . . . . 0.0 110.489 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.14 -45.81 83.24 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.506 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.99 -15.19 28.92 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.261 1.424 . . . . 0.0 114.494 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.44 -41.36 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.352 1.461 . . . . 0.0 111.247 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -62.15 -25.85 67.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -68.71 -11.23 59.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.754 1.622 . . . . 0.0 114.313 170.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.81 -0.93 4.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.045 1.738 . . . . 0.0 113.935 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -60.45 2.68 0.09 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.683 2.475 . . . . 0.0 117.683 -171.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.2 -35.67 62.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.033 1.733 . . . . 0.0 114.392 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.43 49.3 0.16 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.049 1.309 . . . . 0.0 112.466 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.2 mt -53.68 -39.31 37.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.567 1.147 . . . . 0.0 110.883 169.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.67 -29.21 67.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.266 1.827 . . . . 0.0 111.857 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 m -78.61 -33.65 47.26 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.786 0.834 . . . . 0.0 112.208 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.61 -39.75 67.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.598 0.759 . . . . 0.0 112.378 171.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -31.19 72.29 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -75.49 -30.3 59.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.586 1.154 . . . . 0.0 112.247 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -71.69 -39.97 69.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.092 0.957 . . . . 0.0 112.157 171.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -60.44 -38.69 84.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.751 1.62 . . . . 0.0 113.142 170.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.98 -40.94 97.33 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -59.99 -41.21 91.56 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.255 -0.903 . . . . 0.0 113.035 173.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.44 -34.2 76.72 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -65.92 -46.96 76.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.934 0.494 . . . . 0.0 111.195 170.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -33.36 67.82 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -68.97 -36.03 77.41 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.413 1.607 . . . . 0.0 111.766 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -84.45 -30.78 25.0 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -58.22 -32.34 68.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.563 1.145 . . . . 0.0 112.456 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.1 -54.17 28.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.48 -46.85 73.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -61.33 -12.73 15.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.752 1.621 . . . . 0.0 114.808 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -106.09 -38.9 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.331 1.452 . . . . 0.0 111.301 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.95 -28.18 67.42 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.544 1.138 . . . . 0.0 113.463 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -64.78 -11.47 37.09 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.507 1.923 . . . . 0.0 114.365 171.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -127.21 6.45 6.44 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.879 2.072 . . . . 0.0 113.113 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.406 0.146 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -151.76 158.2 43.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.185 1.394 . . . . 0.0 110.641 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.08 -31.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.54 34.7 0.64 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 -173.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.288 25.0 mt 60.98 -35.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 1 C-N-CA 133.122 4.569 . . . . 0.0 115.662 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.93 -30.46 69.08 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 125.254 1.421 . . . . 0.0 110.333 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -64.54 -11.6 35.97 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.703 2.401 . . . . 0.0 115.29 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -109.38 -33.85 6.71 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.401 1.48 . . . . 0.0 112.349 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -59.84 -27.49 66.68 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.945 -0.472 . . . . 0.0 111.386 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -40.18 88.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.55 0.74 . . . . 0.0 111.965 170.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -65.3 -37.23 86.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.526 1.13 . . . . 0.0 112.477 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.83 -39.58 92.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.991 0.916 . . . . 0.0 113.438 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.23 -34.47 72.9 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.58 -15.79 53.03 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.072 1.349 . . . . 0.0 114.414 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.84 -33.7 52.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.202 1.001 . . . . 0.0 112.759 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.62 -36.25 78.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.774 0.83 . . . . 0.0 112.103 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.06 70.43 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.14 -37.56 86.0 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.02 1.41 . . . . 0.0 111.309 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.15 -33.35 69.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.72 0.808 . . . . 0.0 112.162 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.95 -29.82 68.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -68.53 -53.29 24.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.453 0.701 . . . . 0.0 110.54 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -54.26 -46.82 72.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.009 1.324 . . . . 0.0 113.22 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.27 -12.47 13.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.815 1.646 . . . . 0.0 114.902 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.96 -38.6 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.35 1.46 . . . . 0.0 111.608 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.03 -18.43 63.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.093 1.357 . . . . 0.0 114.005 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -69.97 -7.38 40.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.747 1.619 . . . . 0.0 114.071 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -135.12 -177.32 4.59 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.436 2.294 . . . . 0.0 110.443 -173.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 119.207 -0.425 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -128.47 33.32 4.7 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.66 1.584 . . . . 0.0 111.828 -172.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.85 -29.93 65.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.089 2.156 . . . . 0.0 115.373 -169.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.18 -42.31 0.17 Allowed Glycine 0 N--CA 1.47 0.966 0 N-CA-C 115.446 0.938 . . . . 0.0 115.446 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.8 mm -52.92 -32.68 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.753 2.021 . . . . 0.0 112.476 174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -51.44 -33.22 29.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.173 1.789 . . . . 0.0 112.634 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -81.47 -7.52 59.59 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.849 1.26 . . . . 0.0 114.361 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -119.95 -25.85 5.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.376 1.47 . . . . 0.0 112.49 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -73.96 -22.37 59.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.739 0.816 . . . . 0.0 109.202 167.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -64.23 -33.92 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.09 -1.006 . . . . 0.0 111.614 169.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -63.04 -43.11 99.56 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.905 -0.497 . . . . 0.0 111.773 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.06 -44.26 94.84 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.583 1.153 . . . . 0.0 112.19 172.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.06 -33.24 74.02 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -76.54 -24.47 53.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -82.6 -35.13 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.118 0.872 . . . . 0.0 112.555 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.18 -34.64 75.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.58 60.97 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.85 -35.43 80.64 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.655 1.728 . . . . 0.0 111.879 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -78.38 -28.27 47.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.208 1.003 . . . . 0.0 112.681 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.72 -29.78 70.34 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -62.09 -48.65 79.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.758 1.266 . . . . 0.0 110.978 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.95 -48.78 80.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 112.539 -2.118 . . . . 0.0 112.074 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -62.5 -12.71 23.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.398 1.479 . . . . 0.0 114.877 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -105.16 -42.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.989 1.316 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.45 -24.34 66.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.493 1.117 . . . . 0.0 113.763 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.01 -14.21 52.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.634 1.574 . . . . 0.0 114.269 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.95 7.77 4.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.902 2.081 . . . . 0.0 113.29 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 120.362 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.777 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -159.44 164.85 34.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.873 1.669 . . . . 0.0 111.246 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.74 -43.53 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.436 1.095 . . . . 0.0 113.138 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -37.89 0.22 Allowed Glycine 0 N--CA 1.472 1.046 0 C-N-CA 124.114 0.864 . . . . 0.0 114.667 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.85 -28.79 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.204 2.602 . . . . 0.0 113.467 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -56.57 -24.65 48.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.182 0.993 . . . . 0.0 112.624 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -66.39 -27.25 67.72 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.186 0.994 . . . . 0.0 113.315 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -80.14 -37.47 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.662 -0.649 . . . . 0.0 112.651 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -62.39 -36.02 81.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 170.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.25 -44.83 95.66 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.766 0.826 . . . . 0.0 111.635 172.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -61.76 -39.82 92.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.635 0.774 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -62.12 -34.77 76.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.904 1.281 . . . . 0.0 114.037 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -67.02 -31.93 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -27.32 68.6 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.571 -1.331 . . . . 0.0 112.502 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -71.45 -41.16 69.79 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.939 0.791 . . . . 0.0 111.462 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -72.37 -32.42 66.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.51 -35.48 72.91 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.7 -34.84 77.69 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.501 1.651 . . . . 0.0 111.884 173.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -73.68 -32.93 64.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.379 1.072 . . . . 0.0 112.309 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.57 -25.14 68.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.463 1.105 . . . . 0.0 113.142 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.86 -50.86 72.12 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.21 1.005 . . . . 0.0 110.27 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -60.66 -44.98 95.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.087 -1.415 . . . . 0.0 113.006 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -63.6 -12.87 36.71 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.97 -38.96 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.301 1.44 . . . . 0.0 111.053 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -57.52 -27.66 62.79 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.393 1.077 . . . . 0.0 113.124 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -60.39 -21.91 62.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.251 1.821 . . . . 0.0 114.872 174.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -80.99 -10.19 59.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.988 1.315 . . . . 0.0 113.145 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.459 0.171 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -136.44 153.41 51.08 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.66 1.584 . . . . 0.0 110.925 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -148.44 -47.69 0.15 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.921 0.888 . . . . 0.0 112.866 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.69 -46.53 11.24 Favored Glycine 0 N--CA 1.468 0.824 0 O-C-N 121.474 -0.767 . . . . 0.0 112.056 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 mm -59.34 -37.0 66.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.865 1.266 . . . . 0.0 111.703 169.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -69.71 -28.03 65.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.337 0.655 . . . . 0.0 111.806 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.2 m -70.63 -23.36 62.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.966 0.906 . . . . 0.0 112.825 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.82 -39.21 36.2 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.275 -0.89 . . . . 0.0 113.03 170.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -63.19 -36.9 85.16 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.322 -0.237 . . . . 0.0 111.327 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.6 -39.19 91.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 112.09 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -63.05 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.426 0.69 . . . . 0.0 111.86 172.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -63.77 -32.55 74.09 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -68.83 -43.51 75.36 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.782 0.719 . . . . 0.0 111.529 169.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -61.71 -26.52 68.1 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -65.16 -42.33 93.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.267 1.027 . . . . 0.0 112.087 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.37 -37.78 88.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.197 0.599 . . . . 0.0 111.729 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.45 61.08 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -67.13 -34.62 77.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.436 1.618 . . . . 0.0 111.786 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -79.52 -28.86 41.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.441 1.097 . . . . 0.0 113.168 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.55 -31.78 69.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 112.834 173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -67.25 -52.5 40.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.414 1.086 . . . . 0.0 110.836 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -56.18 -49.05 75.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.042 1.337 . . . . 0.0 113.191 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -62.29 -12.74 22.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.491 1.517 . . . . 0.0 114.796 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -101.15 -42.74 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.822 1.249 . . . . 0.0 111.105 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -27.65 68.64 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -76.42 -8.3 56.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.003 1.721 . . . . 0.0 114.346 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -129.52 -26.17 2.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.03 1.332 . . . . 0.0 114.327 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.525 -1.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.277 0.084 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -138.32 4.61 2.44 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.806 1.242 . . . . 0.0 114.335 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.2 -22.58 63.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.908 1.683 . . . . 0.0 115.367 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.15 54.71 0.21 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 126.453 1.977 . . . . 0.0 109.211 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -51.18 -40.26 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.678 1.191 . . . . 0.0 110.448 169.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -63.82 -22.24 66.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.891 2.076 . . . . 0.0 113.44 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -90.14 -6.68 55.12 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.207 1.403 . . . . 0.0 112.883 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -130.24 -27.51 2.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.631 1.172 . . . . 0.0 113.66 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 t -67.64 -25.48 65.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.411 -0.806 . . . . 0.0 109.348 168.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.13 -43.07 95.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.196 0.998 . . . . 0.0 111.228 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -69.83 -25.67 63.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.607 1.163 . . . . 0.0 113.605 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -65.33 -36.36 83.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 113.151 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.38 -26.89 68.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -55.45 -34.7 64.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.362 1.065 . . . . 0.0 112.977 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.59 1.156 . . . . 0.0 112.42 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -69.83 -39.82 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 111.185 172.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.91 -33.54 83.95 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.67 -38.19 88.6 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.428 1.614 . . . . 0.0 111.059 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -74.09 -30.76 62.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.015 0.926 . . . . 0.0 112.892 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.27 -31.72 67.71 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.739 0.815 . . . . 0.0 112.96 173.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -69.08 -51.14 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.354 1.062 . . . . 0.0 111.013 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -54.64 -45.29 73.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.904 1.281 . . . . 0.0 112.958 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -60.03 -12.63 8.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.77 1.628 . . . . 0.0 114.979 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.6 t -106.08 -40.33 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.262 1.425 . . . . 0.0 111.14 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.91 -26.88 67.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.962 . . . . 0.0 113.541 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -65.44 -12.35 51.57 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.31 1.844 . . . . 0.0 114.366 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -128.29 4.8 5.75 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.227 1.811 . . . . 0.0 113.441 -172.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.438 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m 54.61 26.87 7.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.95 -42.44 99.82 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.169 -0.957 . . . . 0.0 112.607 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.31 -49.15 0.33 Allowed Glycine 0 N--CA 1.469 0.834 0 C-N-CA 125.361 1.458 . . . . 0.0 112.755 169.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mm -56.02 -35.32 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 125.592 1.557 . . . . 0.0 111.713 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -59.63 -26.0 65.14 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.252 1.821 . . . . 0.0 113.28 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -113.22 -10.2 13.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.476 1.111 . . . . 0.0 113.873 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.89 -39.46 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.535 0.734 . . . . 0.0 111.434 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -62.52 -31.16 71.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.45 0.7 . . . . 0.0 111.708 169.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -71.28 -44.55 65.02 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.145 0.578 . . . . 0.0 111.892 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -61.59 -34.08 75.0 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.843 0.857 . . . . 0.0 113.075 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -62.58 -28.71 70.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.059 1.744 . . . . 0.0 113.499 169.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -87.34 -29.42 21.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.673 1.189 . . . . 0.0 113.874 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -52.29 -35.07 49.38 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.905 1.23 . . . . 0.0 113.72 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.66 -37.62 79.78 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.982 0.913 . . . . 0.0 112.063 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -70.12 -37.88 75.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.706 1.602 . . . . 0.0 110.878 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.57 -34.41 55.49 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.31 -30.47 69.46 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.269 1.534 . . . . 0.0 112.433 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -85.66 -35.27 21.02 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.924 1.29 . . . . 0.0 113.81 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.94 -30.64 66.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.893 1.277 . . . . 0.0 113.117 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -62.25 -42.4 99.3 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.212 1.006 . . . . 0.0 112.777 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -42.48 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.06 1.344 . . . . 0.0 112.444 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -58.7 -21.69 55.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.3 t -89.09 -47.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.902 1.281 . . . . 0.0 111.286 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.12 -26.02 67.39 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.21 -15.57 63.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.062 1.745 . . . . 0.0 114.253 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -127.55 1.28 6.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.425 1.89 . . . . 0.0 113.592 -171.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 120.458 -1.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -73.87 9.4 1.52 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.302 1.841 . . . . 0.0 115.463 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.26 -30.64 39.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.277 2.231 . . . . 0.0 115.379 -171.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 37.8 0.1 OUTLIER Glycine 0 C--N 1.338 0.647 0 C-N-CA 124.295 0.95 . . . . 0.0 114.545 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.12 -38.07 71.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.518 1.127 . . . . 0.0 110.883 169.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.06 -33.28 73.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.653 1.181 . . . . 0.0 110.935 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -72.41 -32.53 66.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.845 0.858 . . . . 0.0 112.447 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.64 -42.21 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.143 0.577 . . . . 0.0 112.457 171.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -62.81 -30.48 71.51 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.172 0.589 . . . . 0.0 112.253 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.23 -39.02 86.15 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.568 1.147 . . . . 0.0 111.778 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t -68.04 -36.28 79.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.523 0.729 . . . . 0.0 112.578 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -55.07 -37.79 67.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.516 1.126 . . . . 0.0 113.462 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.97 -41.0 95.83 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -68.62 -29.47 67.98 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.787 -1.195 . . . . 0.0 112.107 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.83 -39.32 69.85 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.027 0.931 . . . . 0.0 112.2 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -74.75 -32.91 62.22 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.126 0.421 . . . . 0.0 111.76 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.81 -34.62 61.39 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.08 -36.16 81.4 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.43 1.615 . . . . 0.0 111.616 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.67 -30.21 51.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.794 1.238 . . . . 0.0 112.48 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -61.95 -27.07 68.57 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.697 0.799 . . . . 0.0 112.919 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.92 -46.77 89.34 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.993 1.378 . . . . 0.0 111.21 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -63.3 -45.88 89.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.627 -2.079 . . . . 0.0 112.324 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -61.23 -14.19 24.01 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.437 1.495 . . . . 0.0 114.776 174.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.61 -40.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.077 1.351 . . . . 0.0 111.349 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -58.76 -29.62 66.9 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.57 1.148 . . . . 0.0 113.435 170.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -65.27 -14.75 61.45 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.167 1.787 . . . . 0.0 114.478 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -123.12 2.21 9.24 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.377 1.871 . . . . 0.0 113.496 -172.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 t60 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.732 -0.099 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -144.13 151.96 40.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.397 1.479 . . . . 0.0 111.563 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -152.59 -45.02 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.586 1.154 . . . . 0.0 112.603 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.12 42.07 0.09 OUTLIER Glycine 0 C--N 1.338 0.683 0 C-N-CA 125.068 1.318 . . . . 0.0 112.687 176.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.41 -36.59 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.834 169.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -66.11 -29.69 70.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.672 1.989 . . . . 0.0 111.695 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -84.18 -30.11 26.08 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.462 1.105 . . . . 0.0 112.501 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.07 -38.47 66.43 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 123.904 0.881 . . . . 0.0 112.264 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -67.46 -30.31 70.0 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.446 0.699 . . . . 0.0 112.154 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -68.27 -37.31 80.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.773 -0.579 . . . . 0.0 111.181 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -68.54 -28.95 67.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.005 0.922 . . . . 0.0 112.911 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -62.84 -34.58 77.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.461 1.104 . . . . 0.0 113.823 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.93 -37.49 87.81 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.772 0.715 . . . . 0.0 112.558 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.0 -27.16 68.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.719 1.207 . . . . 0.0 113.645 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -74.82 -35.38 62.45 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.917 0.887 . . . . 0.0 111.543 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -63.96 -40.99 97.69 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.209 0.604 . . . . 0.0 111.146 174.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.08 -26.67 58.83 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -71.22 -31.82 68.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.707 1.753 . . . . 0.0 111.917 171.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -74.26 -29.48 61.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.158 0.983 . . . . 0.0 112.357 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.77 -30.6 70.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.728 -0.608 . . . . 0.0 112.533 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -70.01 -42.43 73.02 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.734 1.254 . . . . 0.0 112.465 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.67 -42.67 93.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.827 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -61.15 -12.83 13.95 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 171.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.33 -37.94 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.15 1.38 . . . . 0.0 111.131 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.3 -29.59 64.03 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.565 1.146 . . . . 0.0 113.139 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -62.75 -13.66 35.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.824 2.05 . . . . 0.0 114.683 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -129.75 5.09 5.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.773 2.029 . . . . 0.0 113.351 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.304 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.433 ' CG ' ' H ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 119.053 -0.499 . . . . 0.0 111.888 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' H ' ' CG ' ' A' ' 1' ' ' HIS . 22.1 m -63.28 -9.96 13.92 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -173.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.34 -31.21 72.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.521 1.528 . . . . 0.0 113.347 172.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.71 -34.98 0.11 Allowed Glycine 0 N--CA 1.469 0.889 0 N-CA-C 117.088 1.595 . . . . 0.0 117.088 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.7 mt -52.5 -34.67 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.569 1.547 . . . . 0.0 112.745 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.22 -31.44 70.94 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.215 1.006 . . . . 0.0 111.829 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -82.23 -27.93 32.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.226 1.41 . . . . 0.0 112.111 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.63 -40.51 63.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -63.45 -33.68 76.09 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.083 0.553 . . . . 0.0 111.725 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.89 -42.91 84.74 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.827 0.851 . . . . 0.0 111.742 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -62.67 -37.12 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 112.609 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -60.34 -45.06 94.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.486 1.514 . . . . 0.0 113.263 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.7 -34.94 78.96 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 173.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -61.97 -33.2 73.85 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -72.48 -36.8 68.54 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -65.28 -44.78 86.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.094 0.558 . . . . 0.0 111.912 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.55 -36.34 70.49 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.59 -40.7 84.79 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.618 1.209 . . . . 0.0 110.407 173.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -36.22 83.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 113.9 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.2 -25.37 66.99 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.994 0.918 . . . . 0.0 113.129 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.55 -55.08 5.29 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.37 1.068 . . . . 0.0 111.668 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.7 -48.17 69.81 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.37 1.068 . . . . 0.0 113.474 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -62.95 -12.65 26.95 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.461 1.504 . . . . 0.0 114.481 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.27 -40.99 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.151 1.38 . . . . 0.0 111.079 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -60.98 -29.31 69.6 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -68.12 -16.41 64.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.179 1.392 . . . . 0.0 114.459 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.5 -11.91 59.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.025 1.33 . . . . 0.0 113.61 176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.594 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m 54.75 12.33 0.56 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.619 1.968 . . . . 0.0 116.078 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.43 -39.39 38.86 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.197 1.799 . . . . 0.0 113.314 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.57 -46.84 0.47 Allowed Glycine 0 N--CA 1.467 0.722 0 C-N-CA 125.086 1.327 . . . . 0.0 113.915 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.19 -35.18 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.301 1.44 . . . . 0.0 111.528 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.4 -31.56 55.28 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.084 1.753 . . . . 0.0 112.695 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -79.13 -25.53 42.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.806 1.242 . . . . 0.0 112.946 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -81.13 -40.42 24.05 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.79 -0.569 . . . . 0.0 112.452 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -59.64 -29.19 67.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -67.05 -45.74 76.51 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.557 1.143 . . . . 0.0 112.008 170.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -61.56 -41.11 96.91 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 0.0 112.625 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -63.95 -24.09 67.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 113.881 174.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -85.89 -40.03 16.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.795 0.725 . . . . 0.0 112.361 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -56.05 -32.42 64.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -69.58 -28.55 66.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.79 -35.58 44.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.284 1.034 . . . . 0.0 111.54 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.38 -36.38 90.91 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -65.37 -39.26 92.05 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.062 1.431 . . . . 0.0 111.049 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -73.2 -34.12 65.77 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.762 0.825 . . . . 0.0 112.878 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.54 -31.42 67.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.218 1.007 . . . . 0.0 112.882 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.36 -54.28 13.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.469 1.108 . . . . 0.0 110.969 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.05 -46.62 71.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.631 1.172 . . . . 0.0 113.267 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -60.13 -12.36 8.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.99 -41.09 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.148 1.379 . . . . 0.0 111.131 175.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.47 -26.93 67.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.025 1.33 . . . . 0.0 113.826 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.16 -12.78 54.73 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.979 1.712 . . . . 0.0 114.307 171.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -129.16 6.03 5.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.51 1.924 . . . . 0.0 113.398 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 119.802 -0.142 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 119.777 -0.154 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.252 0.093 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 110.819 -0.067 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.185 0.069 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 110.878 -0.045 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.401 0.143 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 119.377 -0.345 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.501 0.191 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -157.01 167.4 30.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.6 1.56 . . . . 0.0 111.161 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.78 -21.12 62.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 65.14 0.15 Allowed Glycine 0 C--N 1.334 0.459 0 N-CA-C 106.806 -2.518 . . . . 0.0 106.806 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -43.48 -28.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 129.201 3.0 . . . . 0.0 114.136 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -52.07 -24.48 6.87 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.775 2.03 . . . . 0.0 113.402 170.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.1 m -65.7 -19.65 65.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.939 1.295 . . . . 0.0 113.254 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -118.12 -29.81 5.48 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 113.587 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -59.83 -26.61 65.95 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.383 0.538 . . . . 0.0 111.867 169.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.58 -42.98 95.27 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.404 1.082 . . . . 0.0 111.739 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.9 t -64.02 -40.89 97.34 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.803 0.841 . . . . 0.0 112.144 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -58.28 -37.69 75.51 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.82 -36.46 56.87 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -60.94 -25.75 67.01 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.375 1.443 . . . . 0.0 114.179 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -67.89 -39.24 83.7 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.896 0.878 . . . . 0.0 111.968 170.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -65.3 -39.7 92.85 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.161 0.984 . . . . 0.0 111.121 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.08 -29.12 73.41 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -69.65 -35.51 75.24 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.632 1.716 . . . . 0.0 111.783 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -84.64 -25.44 28.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.926 1.291 . . . . 0.0 113.28 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.15 -34.75 68.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.839 0.856 . . . . 0.0 112.435 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -62.08 -48.98 77.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 123.043 1.401 . . . . 0.0 111.713 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.28 -51.01 70.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.234 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.17 -12.77 30.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.287 1.435 . . . . 0.0 114.739 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.09 -47.35 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.593 1.157 . . . . 0.0 111.376 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.62 -21.96 66.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.937 1.244 . . . . 0.0 114.165 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -77.0 -9.13 58.49 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.837 1.655 . . . . 0.0 114.122 171.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -128.65 -26.86 2.66 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.241 1.416 . . . . 0.0 114.308 -169.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.605 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.499 0.19 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -132.65 13.19 4.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.668 1.187 . . . . 0.0 113.736 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.66 -29.8 70.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.939 1.296 . . . . 0.0 113.966 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.86 -36.94 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.854 1.216 . . . . 0.0 115.147 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mm -51.13 -34.53 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.796 1.638 . . . . 0.0 113.122 170.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.41 -30.37 70.1 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.119 0.968 . . . . 0.0 112.185 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -81.19 -35.55 31.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 111.957 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -67.1 -36.76 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -65.48 -25.36 67.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.284 0.634 . . . . 0.0 112.529 172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -74.89 -39.53 61.44 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.653 -0.654 . . . . 0.0 111.776 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 m -62.74 -29.87 71.0 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.117 -0.989 . . . . 0.0 113.019 170.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -70.0 -37.85 75.82 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.888 0.875 . . . . 0.0 112.015 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.55 -35.64 80.72 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -53.99 -28.15 36.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.18 -39.45 82.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.596 0.758 . . . . 0.0 112.079 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -67.24 -38.24 84.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.473 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.14 -33.27 51.44 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.56 -29.43 67.99 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.962 1.381 . . . . 0.0 112.218 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -85.54 -38.97 17.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.058 1.343 . . . . 0.0 113.24 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.58 -34.1 66.83 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.141 0.977 . . . . 0.0 112.782 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -68.16 -44.1 76.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.963 0.887 . . . . 0.0 112.814 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -64.02 -46.86 82.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.17 1.388 . . . . 0.0 112.242 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -61.77 -18.09 58.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.779 1.232 . . . . 0.0 114.128 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 t -93.44 -34.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.952 1.301 . . . . 0.0 111.995 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.07 -38.81 66.31 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.147 0.885 . . . . 0.0 113.353 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -34.0 45.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.474 1.109 . . . . 0.0 112.693 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . 0.289 0.2 OUTLIER 33.56 42.56 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.563 3.145 . . . . 0.0 117.23 174.299 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -67.69 0.55 3.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.256 1.822 . . . . 0.0 115.564 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.55 -33.29 65.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.068 1.747 . . . . 0.0 113.676 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.23 -38.74 0.14 Allowed Glycine 0 N--CA 1.469 0.866 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -32.77 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 126.713 2.005 . . . . 0.0 112.799 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.44 -35.53 63.06 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.446 1.098 . . . . 0.0 111.874 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -76.03 -20.49 57.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -81.65 -41.98 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.982 0.513 . . . . 0.0 112.26 171.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 t -62.4 -36.43 82.31 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 0.0 111.372 173.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.84 -48.8 80.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.627 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 t -59.46 -42.65 92.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.507 0.723 . . . . 0.0 112.131 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.5 1.52 . . . . 0.0 113.229 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.72 97.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 171.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -65.73 -21.0 66.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -66.75 -41.55 87.59 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.891 1.223 . . . . 0.0 111.704 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -65.44 -38.05 88.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.497 0.719 . . . . 0.0 111.427 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.44 -24.11 65.42 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.35 -32.25 72.14 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.156 1.978 . . . . 0.0 112.44 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -77.22 -27.33 53.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.265 1.026 . . . . 0.0 113.294 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.02 -28.78 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.805 0.73 . . . . 0.0 112.798 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -63.1 -49.0 76.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.026 0.93 . . . . 0.0 110.609 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -54.18 -48.96 70.39 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.198 1.399 . . . . 0.0 112.855 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -63.95 -12.73 40.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.94 -38.37 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.845 1.258 . . . . 0.0 111.105 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.28 -27.59 67.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.797 1.239 . . . . 0.0 113.126 169.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -62.51 -12.99 25.68 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.582 1.953 . . . . 0.0 114.515 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -128.08 6.14 5.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.672 1.989 . . . . 0.0 113.34 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.393 -1.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m 55.96 18.55 3.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.095 1.758 . . . . 0.0 115.494 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -95.69 -28.42 14.81 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.156 1.782 . . . . 0.0 114.152 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.473 1.106 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -33.52 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.69 1.596 . . . . 0.0 113.029 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -64.55 -32.32 73.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.897 1.279 . . . . 0.0 112.211 176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.0 m -81.21 -28.96 34.68 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.44 1.096 . . . . 0.0 112.519 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.43 -35.68 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -65.21 -26.22 68.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 112.268 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -79.59 -40.59 29.03 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.81 0.844 . . . . 0.0 111.412 169.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -56.44 -35.34 67.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.22 1.008 . . . . 0.0 112.758 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -29.11 18.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.656 1.982 . . . . 0.0 115.301 169.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -87.2 -37.44 17.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.35 -31.98 67.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.799 0.84 . . . . 0.0 113.204 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -69.83 -38.98 76.73 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.73 81.48 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.45 -36.85 81.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.521 1.661 . . . . 0.0 111.641 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -74.57 -28.15 60.8 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.155 0.982 . . . . 0.0 113.013 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.93 -33.17 71.53 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.667 -0.645 . . . . 0.0 112.424 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -63.75 -45.17 91.04 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.755 1.264 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.63 -48.93 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.893 -1.958 . . . . 0.0 112.152 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.45 -13.44 40.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 174.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.66 -39.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.823 1.249 . . . . 0.0 111.224 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.09 -28.9 68.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.561 1.144 . . . . 0.0 113.168 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -64.26 -12.37 40.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.578 1.951 . . . . 0.0 114.426 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.62 5.22 5.58 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 113.282 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.352 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.688 -0.115 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -129.32 17.53 5.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.401 1.48 . . . . 0.0 112.869 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.55 -32.44 73.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.976 1.31 . . . . 0.0 113.711 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -35.15 0.17 Allowed Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.434 1.016 . . . . 0.0 115.236 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.36 -30.24 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 128.16 2.584 . . . . 0.0 113.412 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.18 -33.68 53.66 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.317 1.047 . . . . 0.0 112.245 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -69.29 -22.52 63.8 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.624 1.169 . . . . 0.0 113.39 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -84.29 -41.66 16.62 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.801 0.84 . . . . 0.0 112.501 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -67.4 -34.7 77.79 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.032 0.533 . . . . 0.0 111.137 169.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -60.23 -43.26 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.367 -0.833 . . . . 0.0 111.136 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -64.83 -33.92 77.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.249 1.02 . . . . 0.0 113.145 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -61.94 -33.64 74.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.162 0.985 . . . . 0.0 113.464 171.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -75.28 -33.2 61.21 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -56.18 -41.62 75.78 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.234 1.379 . . . . 0.0 113.425 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.03 -34.69 75.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.483 0.713 . . . . 0.0 112.776 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -70.98 -39.51 72.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.577 0.751 . . . . 0.0 111.252 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.56 -36.23 90.94 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -64.07 -41.88 97.19 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.978 1.389 . . . . 0.0 110.845 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -75.01 -34.17 61.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.04 -33.65 67.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.317 1.047 . . . . 0.0 112.565 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.31 -53.53 12.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.81 1.244 . . . . 0.0 110.966 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -54.14 -47.29 72.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.402 1.081 . . . . 0.0 113.326 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.41 -12.49 9.58 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.58 1.552 . . . . 0.0 115.052 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.2 t -109.01 -40.45 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.284 1.434 . . . . 0.0 111.314 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.3 -29.64 69.99 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.291 1.037 . . . . 0.0 113.625 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.69 -17.14 64.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.247 1.419 . . . . 0.0 114.307 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -79.06 -10.86 59.95 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.073 1.349 . . . . 0.0 113.666 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.664 0.269 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -149.39 126.12 11.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.666 1.586 . . . . 0.0 110.468 174.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.83 -38.84 92.58 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -175.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.17 -32.07 1.41 Allowed Glycine 0 N--CA 1.472 1.067 0 C-N-CA 124.501 1.048 . . . . 0.0 115.209 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.5 mm -50.9 -31.84 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 127.805 2.442 . . . . 0.0 113.268 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.53 -32.74 67.36 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.923 1.289 . . . . 0.0 112.065 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -79.4 -11.7 59.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -112.14 -26.8 8.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.224 1.41 . . . . 0.0 112.595 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -62.26 -26.51 68.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.244 0.618 . . . . 0.0 110.967 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -65.96 -46.41 78.2 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.835 0.854 . . . . 0.0 111.05 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -65.35 -23.09 66.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.347 1.459 . . . . 0.0 113.615 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.35 -43.55 49.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.574 1.15 . . . . 0.0 111.426 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.4 -37.18 74.42 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -25.27 65.96 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.925 -1.109 . . . . 0.0 113.917 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.19 -33.37 65.36 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.314 1.045 . . . . 0.0 112.799 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -66.57 -42.41 87.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 171.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -34.03 60.07 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.19 -35.19 79.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.117 1.459 . . . . 0.0 112.169 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -80.2 -30.68 38.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 112.311 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.78 -30.27 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.224 1.01 . . . . 0.0 112.841 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.17 -52.81 60.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.193 0.997 . . . . 0.0 110.531 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.25 -46.05 91.15 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.578 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.59 -14.51 30.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.799 1.64 . . . . 0.0 114.546 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -100.12 -42.54 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.936 1.294 . . . . 0.0 111.18 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -60.4 -28.85 68.57 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.9 -13.93 62.73 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 114.328 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.11 0.12 5.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.143 1.777 . . . . 0.0 113.779 -170.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.474 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.604 0.24 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -74.36 11.01 1.06 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.211 1.805 . . . . 0.0 115.234 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.93 -31.08 38.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.774 2.03 . . . . 0.0 115.51 -170.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.45 29.73 2.87 Favored Glycine 0 N--CA 1.469 0.881 0 C-N-CA 125.545 1.545 . . . . 0.0 113.901 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm 43.04 -41.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.405 1 C-N-CA 136.848 6.059 . . . . 0.0 118.304 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -59.46 -26.51 65.29 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 126.563 1.945 . . . . 0.0 112.187 171.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -65.39 -29.48 70.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.214 1.405 . . . . 0.0 113.232 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.25 -39.72 18.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.314 0.646 . . . . 0.0 112.502 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -63.11 -29.86 71.14 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 170.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -70.22 -45.25 66.92 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.656 0.782 . . . . 0.0 111.662 169.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -59.13 -39.36 82.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.557 0.743 . . . . 0.0 112.539 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -62.7 -29.33 70.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.956 2.102 . . . . 0.0 114.6 172.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -87.05 -39.22 15.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.26 1.024 . . . . 0.0 112.923 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.36 -32.9 70.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.507 1.923 . . . . 0.0 113.216 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -71.39 -25.87 62.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -78.65 -37.74 41.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.961 0.904 . . . . 0.0 111.185 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.16 83.84 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.05 -36.16 81.44 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.843 1.322 . . . . 0.0 111.475 173.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -78.35 -30.0 47.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.365 1.066 . . . . 0.0 113.169 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -58.88 -31.81 68.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.678 0.791 . . . . 0.0 112.649 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.12 -53.16 41.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.527 1.131 . . . . 0.0 111.035 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -54.27 -47.09 72.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.95 1.3 . . . . 0.0 113.067 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.15 -12.56 28.54 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -100.26 -38.49 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.869 1.268 . . . . 0.0 111.113 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.86 -28.64 67.7 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 0.0 113.069 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.84 -11.97 21.62 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.872 2.069 . . . . 0.0 114.514 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -125.42 5.1 7.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.545 1.938 . . . . 0.0 113.3 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 120.388 -1.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -153.06 107.64 3.15 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.678 1.191 . . . . 0.0 110.989 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.41 -34.77 68.1 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.523 0.729 . . . . 0.0 111.697 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.88 55.76 0.04 OUTLIER Glycine 0 CA--C 1.523 0.576 0 C-N-CA 126.975 2.226 . . . . 0.0 109.908 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.5 mt -53.67 -39.99 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.255 1.022 . . . . 0.0 110.963 171.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.34 -20.44 66.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.683 1.993 . . . . 0.0 113.301 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -90.97 0.68 57.47 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.117 1.367 . . . . 0.0 112.365 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -131.47 -37.12 1.23 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.58 1.152 . . . . 0.0 113.881 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -60.15 -27.89 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.443 0.639 . . . . 0.0 111.286 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.2 -49.36 74.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.853 1.261 . . . . 0.0 111.678 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 m -66.63 -33.48 75.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.195 1.398 . . . . 0.0 113.063 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -59.13 -32.48 69.89 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.323 1.449 . . . . 0.0 112.932 169.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -82.38 -34.34 28.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.436 0.694 . . . . 0.0 112.369 172.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.02 -43.77 91.63 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.633 -1.292 . . . . 0.0 112.438 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -72.65 -27.34 62.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -81.76 -34.62 30.33 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.221 0.464 . . . . 0.0 111.359 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.2 -31.41 62.15 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.157 1.478 . . . . 0.0 111.838 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.79 -31.81 23.7 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.456 1.503 . . . . 0.0 112.203 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -56.99 -29.99 63.75 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.6 1.16 . . . . 0.0 113.05 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -61.79 -51.23 69.13 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.495 1.14 . . . . 0.0 110.619 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -65.42 -46.01 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.935 -1.484 . . . . 0.0 112.626 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -62.75 -16.8 59.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.142 1.377 . . . . 0.0 113.989 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 t -89.56 -44.33 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.134 . . . . 0.0 110.925 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.58 -28.06 69.08 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 172.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -69.35 -9.95 55.72 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.214 1.806 . . . . 0.0 114.343 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -130.45 4.69 4.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.446 1.898 . . . . 0.0 113.576 -173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.396 0.141 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -64.22 157.39 25.91 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 112.726 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -151.74 -52.82 0.12 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 112.21 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.12 1.02 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.898 1.237 . . . . 0.0 113.473 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -54.42 -28.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 127.605 2.362 . . . . 0.0 113.339 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.84 -34.36 53.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.592 1.157 . . . . 0.0 111.915 171.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.5 -29.74 61.53 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.529 1.132 . . . . 0.0 112.891 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.02 -39.17 42.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 112.616 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -61.71 -29.71 70.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.992 0.517 . . . . 0.0 112.088 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -78.89 -38.4 37.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.777 0.831 . . . . 0.0 112.823 170.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -61.28 -33.69 73.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -21.93 9.84 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.598 1.959 . . . . 0.0 115.86 170.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -87.16 -23.39 24.83 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 171.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -63.1 -33.77 76.18 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.303 1.411 . . . . 0.0 112.381 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.17 -33.21 69.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.034 0.933 . . . . 0.0 113.046 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.96 -39.97 83.29 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 110.819 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.92 -33.1 59.89 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.08 -30.47 70.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.455 1.627 . . . . 0.0 112.249 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -84.77 -26.84 27.29 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.46 1.104 . . . . 0.0 112.924 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -64.66 -24.6 67.63 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.35 -48.23 82.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.498 1.119 . . . . 0.0 110.489 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.14 -45.81 83.24 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.506 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.99 -15.19 28.92 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.261 1.424 . . . . 0.0 114.494 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.44 -41.36 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.352 1.461 . . . . 0.0 111.247 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -62.15 -25.85 67.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -68.71 -11.23 59.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.754 1.622 . . . . 0.0 114.313 170.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.81 -0.93 4.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.045 1.738 . . . . 0.0 113.935 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -60.45 2.68 0.09 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.683 2.475 . . . . 0.0 117.683 -171.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.2 -35.67 62.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.033 1.733 . . . . 0.0 114.392 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.43 49.3 0.16 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.049 1.309 . . . . 0.0 112.466 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.2 mt -53.68 -39.31 37.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.567 1.147 . . . . 0.0 110.883 169.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.67 -29.21 67.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.266 1.827 . . . . 0.0 111.857 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 m -78.61 -33.65 47.26 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.786 0.834 . . . . 0.0 112.208 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.61 -39.75 67.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.598 0.759 . . . . 0.0 112.378 171.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -31.19 72.29 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -75.49 -30.3 59.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.586 1.154 . . . . 0.0 112.247 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -71.69 -39.97 69.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.092 0.957 . . . . 0.0 112.157 171.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -60.44 -38.69 84.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.751 1.62 . . . . 0.0 113.142 170.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.98 -40.94 97.33 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -59.99 -41.21 91.56 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.255 -0.903 . . . . 0.0 113.035 173.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.44 -34.2 76.72 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -65.92 -46.96 76.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.934 0.494 . . . . 0.0 111.195 170.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -33.36 67.82 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -68.97 -36.03 77.41 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.413 1.607 . . . . 0.0 111.766 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -84.45 -30.78 25.0 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -58.22 -32.34 68.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.563 1.145 . . . . 0.0 112.456 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.1 -54.17 28.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.48 -46.85 73.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -61.33 -12.73 15.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.752 1.621 . . . . 0.0 114.808 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -106.09 -38.9 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.331 1.452 . . . . 0.0 111.301 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.95 -28.18 67.42 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.544 1.138 . . . . 0.0 113.463 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -64.78 -11.47 37.09 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.507 1.923 . . . . 0.0 114.365 171.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -127.21 6.45 6.44 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.879 2.072 . . . . 0.0 113.113 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.406 0.146 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -151.76 158.2 43.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.185 1.394 . . . . 0.0 110.641 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.08 -31.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.54 34.7 0.64 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 -173.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.288 25.0 mt 60.98 -35.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 1 C-N-CA 133.122 4.569 . . . . 0.0 115.662 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.93 -30.46 69.08 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 125.254 1.421 . . . . 0.0 110.333 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -64.54 -11.6 35.97 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.703 2.401 . . . . 0.0 115.29 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -109.38 -33.85 6.71 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.401 1.48 . . . . 0.0 112.349 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -59.84 -27.49 66.68 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.945 -0.472 . . . . 0.0 111.386 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -40.18 88.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.55 0.74 . . . . 0.0 111.965 170.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -65.3 -37.23 86.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.526 1.13 . . . . 0.0 112.477 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.83 -39.58 92.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.991 0.916 . . . . 0.0 113.438 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.23 -34.47 72.9 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.58 -15.79 53.03 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.072 1.349 . . . . 0.0 114.414 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.84 -33.7 52.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.202 1.001 . . . . 0.0 112.759 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.62 -36.25 78.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.774 0.83 . . . . 0.0 112.103 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.06 70.43 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.14 -37.56 86.0 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.02 1.41 . . . . 0.0 111.309 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.15 -33.35 69.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.72 0.808 . . . . 0.0 112.162 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.95 -29.82 68.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -68.53 -53.29 24.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.453 0.701 . . . . 0.0 110.54 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -54.26 -46.82 72.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.009 1.324 . . . . 0.0 113.22 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.27 -12.47 13.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.815 1.646 . . . . 0.0 114.902 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.96 -38.6 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.35 1.46 . . . . 0.0 111.608 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.03 -18.43 63.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.093 1.357 . . . . 0.0 114.005 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -69.97 -7.38 40.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.747 1.619 . . . . 0.0 114.071 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -135.12 -177.32 4.59 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.436 2.294 . . . . 0.0 110.443 -173.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 119.207 -0.425 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -128.47 33.32 4.7 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.66 1.584 . . . . 0.0 111.828 -172.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.85 -29.93 65.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.089 2.156 . . . . 0.0 115.373 -169.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.18 -42.31 0.17 Allowed Glycine 0 N--CA 1.47 0.966 0 N-CA-C 115.446 0.938 . . . . 0.0 115.446 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.8 mm -52.92 -32.68 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.753 2.021 . . . . 0.0 112.476 174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -51.44 -33.22 29.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.173 1.789 . . . . 0.0 112.634 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -81.47 -7.52 59.59 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.849 1.26 . . . . 0.0 114.361 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -119.95 -25.85 5.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.376 1.47 . . . . 0.0 112.49 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -73.96 -22.37 59.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.739 0.816 . . . . 0.0 109.202 167.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -64.23 -33.92 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.09 -1.006 . . . . 0.0 111.614 169.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -63.04 -43.11 99.56 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.905 -0.497 . . . . 0.0 111.773 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.06 -44.26 94.84 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.583 1.153 . . . . 0.0 112.19 172.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.06 -33.24 74.02 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -76.54 -24.47 53.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -82.6 -35.13 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.118 0.872 . . . . 0.0 112.555 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.18 -34.64 75.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.58 60.97 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.85 -35.43 80.64 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.655 1.728 . . . . 0.0 111.879 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -78.38 -28.27 47.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.208 1.003 . . . . 0.0 112.681 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.72 -29.78 70.34 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -62.09 -48.65 79.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.758 1.266 . . . . 0.0 110.978 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.95 -48.78 80.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 112.539 -2.118 . . . . 0.0 112.074 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -62.5 -12.71 23.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.398 1.479 . . . . 0.0 114.877 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -105.16 -42.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.989 1.316 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.45 -24.34 66.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.493 1.117 . . . . 0.0 113.763 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.01 -14.21 52.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.634 1.574 . . . . 0.0 114.269 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.95 7.77 4.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.902 2.081 . . . . 0.0 113.29 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 120.362 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.777 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -159.44 164.85 34.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.873 1.669 . . . . 0.0 111.246 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.74 -43.53 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.436 1.095 . . . . 0.0 113.138 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -37.89 0.22 Allowed Glycine 0 N--CA 1.472 1.046 0 C-N-CA 124.114 0.864 . . . . 0.0 114.667 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.85 -28.79 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.204 2.602 . . . . 0.0 113.467 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -56.57 -24.65 48.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.182 0.993 . . . . 0.0 112.624 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -66.39 -27.25 67.72 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.186 0.994 . . . . 0.0 113.315 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -80.14 -37.47 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.662 -0.649 . . . . 0.0 112.651 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -62.39 -36.02 81.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 170.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.25 -44.83 95.66 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.766 0.826 . . . . 0.0 111.635 172.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -61.76 -39.82 92.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.635 0.774 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -62.12 -34.77 76.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.904 1.281 . . . . 0.0 114.037 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -67.02 -31.93 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -27.32 68.6 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.571 -1.331 . . . . 0.0 112.502 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -71.45 -41.16 69.79 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.939 0.791 . . . . 0.0 111.462 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -72.37 -32.42 66.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.51 -35.48 72.91 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.7 -34.84 77.69 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.501 1.651 . . . . 0.0 111.884 173.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -73.68 -32.93 64.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.379 1.072 . . . . 0.0 112.309 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.57 -25.14 68.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.463 1.105 . . . . 0.0 113.142 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.86 -50.86 72.12 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.21 1.005 . . . . 0.0 110.27 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -60.66 -44.98 95.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.087 -1.415 . . . . 0.0 113.006 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -63.6 -12.87 36.71 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.97 -38.96 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.301 1.44 . . . . 0.0 111.053 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -57.52 -27.66 62.79 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.393 1.077 . . . . 0.0 113.124 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -60.39 -21.91 62.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.251 1.821 . . . . 0.0 114.872 174.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -80.99 -10.19 59.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.988 1.315 . . . . 0.0 113.145 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.459 0.171 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -136.44 153.41 51.08 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.66 1.584 . . . . 0.0 110.925 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -148.44 -47.69 0.15 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.921 0.888 . . . . 0.0 112.866 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.69 -46.53 11.24 Favored Glycine 0 N--CA 1.468 0.824 0 O-C-N 121.474 -0.767 . . . . 0.0 112.056 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 mm -59.34 -37.0 66.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.865 1.266 . . . . 0.0 111.703 169.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -69.71 -28.03 65.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.337 0.655 . . . . 0.0 111.806 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.2 m -70.63 -23.36 62.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.966 0.906 . . . . 0.0 112.825 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.82 -39.21 36.2 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.275 -0.89 . . . . 0.0 113.03 170.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -63.19 -36.9 85.16 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.322 -0.237 . . . . 0.0 111.327 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.6 -39.19 91.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 112.09 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -63.05 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.426 0.69 . . . . 0.0 111.86 172.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -63.77 -32.55 74.09 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -68.83 -43.51 75.36 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.782 0.719 . . . . 0.0 111.529 169.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -61.71 -26.52 68.1 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -65.16 -42.33 93.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.267 1.027 . . . . 0.0 112.087 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.37 -37.78 88.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.197 0.599 . . . . 0.0 111.729 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.45 61.08 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -67.13 -34.62 77.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.436 1.618 . . . . 0.0 111.786 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -79.52 -28.86 41.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.441 1.097 . . . . 0.0 113.168 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.55 -31.78 69.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 112.834 173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -67.25 -52.5 40.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.414 1.086 . . . . 0.0 110.836 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -56.18 -49.05 75.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.042 1.337 . . . . 0.0 113.191 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -62.29 -12.74 22.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.491 1.517 . . . . 0.0 114.796 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -101.15 -42.74 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.822 1.249 . . . . 0.0 111.105 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -27.65 68.64 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -76.42 -8.3 56.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.003 1.721 . . . . 0.0 114.346 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -129.52 -26.17 2.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.03 1.332 . . . . 0.0 114.327 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.525 -1.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.277 0.084 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -138.32 4.61 2.44 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.806 1.242 . . . . 0.0 114.335 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.2 -22.58 63.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.908 1.683 . . . . 0.0 115.367 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.15 54.71 0.21 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 126.453 1.977 . . . . 0.0 109.211 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -51.18 -40.26 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.678 1.191 . . . . 0.0 110.448 169.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -63.82 -22.24 66.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.891 2.076 . . . . 0.0 113.44 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -90.14 -6.68 55.12 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.207 1.403 . . . . 0.0 112.883 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -130.24 -27.51 2.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.631 1.172 . . . . 0.0 113.66 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 t -67.64 -25.48 65.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.411 -0.806 . . . . 0.0 109.348 168.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.13 -43.07 95.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.196 0.998 . . . . 0.0 111.228 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -69.83 -25.67 63.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.607 1.163 . . . . 0.0 113.605 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -65.33 -36.36 83.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 113.151 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.38 -26.89 68.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -55.45 -34.7 64.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.362 1.065 . . . . 0.0 112.977 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.59 1.156 . . . . 0.0 112.42 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -69.83 -39.82 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 111.185 172.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.91 -33.54 83.95 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.67 -38.19 88.6 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.428 1.614 . . . . 0.0 111.059 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -74.09 -30.76 62.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.015 0.926 . . . . 0.0 112.892 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.27 -31.72 67.71 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.739 0.815 . . . . 0.0 112.96 173.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -69.08 -51.14 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.354 1.062 . . . . 0.0 111.013 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -54.64 -45.29 73.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.904 1.281 . . . . 0.0 112.958 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -60.03 -12.63 8.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.77 1.628 . . . . 0.0 114.979 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.6 t -106.08 -40.33 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.262 1.425 . . . . 0.0 111.14 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.91 -26.88 67.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.962 . . . . 0.0 113.541 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -65.44 -12.35 51.57 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.31 1.844 . . . . 0.0 114.366 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -128.29 4.8 5.75 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.227 1.811 . . . . 0.0 113.441 -172.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.438 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m 54.61 26.87 7.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.95 -42.44 99.82 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.169 -0.957 . . . . 0.0 112.607 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.31 -49.15 0.33 Allowed Glycine 0 N--CA 1.469 0.834 0 C-N-CA 125.361 1.458 . . . . 0.0 112.755 169.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mm -56.02 -35.32 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 125.592 1.557 . . . . 0.0 111.713 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -59.63 -26.0 65.14 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.252 1.821 . . . . 0.0 113.28 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -113.22 -10.2 13.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.476 1.111 . . . . 0.0 113.873 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.89 -39.46 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.535 0.734 . . . . 0.0 111.434 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -62.52 -31.16 71.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.45 0.7 . . . . 0.0 111.708 169.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -71.28 -44.55 65.02 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.145 0.578 . . . . 0.0 111.892 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -61.59 -34.08 75.0 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.843 0.857 . . . . 0.0 113.075 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -62.58 -28.71 70.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.059 1.744 . . . . 0.0 113.499 169.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -87.34 -29.42 21.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.673 1.189 . . . . 0.0 113.874 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -52.29 -35.07 49.38 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.905 1.23 . . . . 0.0 113.72 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.66 -37.62 79.78 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.982 0.913 . . . . 0.0 112.063 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -70.12 -37.88 75.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.706 1.602 . . . . 0.0 110.878 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.57 -34.41 55.49 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.31 -30.47 69.46 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.269 1.534 . . . . 0.0 112.433 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -85.66 -35.27 21.02 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.924 1.29 . . . . 0.0 113.81 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.94 -30.64 66.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.893 1.277 . . . . 0.0 113.117 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -62.25 -42.4 99.3 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.212 1.006 . . . . 0.0 112.777 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -42.48 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.06 1.344 . . . . 0.0 112.444 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -58.7 -21.69 55.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.3 t -89.09 -47.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.902 1.281 . . . . 0.0 111.286 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.12 -26.02 67.39 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.21 -15.57 63.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.062 1.745 . . . . 0.0 114.253 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -127.55 1.28 6.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.425 1.89 . . . . 0.0 113.592 -171.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 120.458 -1.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -73.87 9.4 1.52 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.302 1.841 . . . . 0.0 115.463 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.26 -30.64 39.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.277 2.231 . . . . 0.0 115.379 -171.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 37.8 0.1 OUTLIER Glycine 0 C--N 1.338 0.647 0 C-N-CA 124.295 0.95 . . . . 0.0 114.545 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.12 -38.07 71.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.518 1.127 . . . . 0.0 110.883 169.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.06 -33.28 73.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.653 1.181 . . . . 0.0 110.935 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -72.41 -32.53 66.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.845 0.858 . . . . 0.0 112.447 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.64 -42.21 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.143 0.577 . . . . 0.0 112.457 171.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -62.81 -30.48 71.51 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.172 0.589 . . . . 0.0 112.253 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.23 -39.02 86.15 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.568 1.147 . . . . 0.0 111.778 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t -68.04 -36.28 79.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.523 0.729 . . . . 0.0 112.578 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -55.07 -37.79 67.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.516 1.126 . . . . 0.0 113.462 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.97 -41.0 95.83 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -68.62 -29.47 67.98 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.787 -1.195 . . . . 0.0 112.107 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.83 -39.32 69.85 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.027 0.931 . . . . 0.0 112.2 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -74.75 -32.91 62.22 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.126 0.421 . . . . 0.0 111.76 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.81 -34.62 61.39 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.08 -36.16 81.4 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.43 1.615 . . . . 0.0 111.616 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.67 -30.21 51.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.794 1.238 . . . . 0.0 112.48 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -61.95 -27.07 68.57 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.697 0.799 . . . . 0.0 112.919 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.92 -46.77 89.34 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.993 1.378 . . . . 0.0 111.21 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -63.3 -45.88 89.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.627 -2.079 . . . . 0.0 112.324 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -61.23 -14.19 24.01 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.437 1.495 . . . . 0.0 114.776 174.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.61 -40.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.077 1.351 . . . . 0.0 111.349 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -58.76 -29.62 66.9 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.57 1.148 . . . . 0.0 113.435 170.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -65.27 -14.75 61.45 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.167 1.787 . . . . 0.0 114.478 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -123.12 2.21 9.24 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.377 1.871 . . . . 0.0 113.496 -172.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 t60 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.732 -0.099 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -144.13 151.96 40.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.397 1.479 . . . . 0.0 111.563 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -152.59 -45.02 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.586 1.154 . . . . 0.0 112.603 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.12 42.07 0.09 OUTLIER Glycine 0 C--N 1.338 0.683 0 C-N-CA 125.068 1.318 . . . . 0.0 112.687 176.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.41 -36.59 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.834 169.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -66.11 -29.69 70.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.672 1.989 . . . . 0.0 111.695 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -84.18 -30.11 26.08 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.462 1.105 . . . . 0.0 112.501 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.07 -38.47 66.43 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 123.904 0.881 . . . . 0.0 112.264 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -67.46 -30.31 70.0 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.446 0.699 . . . . 0.0 112.154 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -68.27 -37.31 80.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.773 -0.579 . . . . 0.0 111.181 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -68.54 -28.95 67.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.005 0.922 . . . . 0.0 112.911 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -62.84 -34.58 77.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.461 1.104 . . . . 0.0 113.823 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.93 -37.49 87.81 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.772 0.715 . . . . 0.0 112.558 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.0 -27.16 68.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.719 1.207 . . . . 0.0 113.645 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -74.82 -35.38 62.45 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.917 0.887 . . . . 0.0 111.543 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -63.96 -40.99 97.69 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.209 0.604 . . . . 0.0 111.146 174.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.08 -26.67 58.83 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -71.22 -31.82 68.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.707 1.753 . . . . 0.0 111.917 171.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -74.26 -29.48 61.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.158 0.983 . . . . 0.0 112.357 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.77 -30.6 70.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.728 -0.608 . . . . 0.0 112.533 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -70.01 -42.43 73.02 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.734 1.254 . . . . 0.0 112.465 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.67 -42.67 93.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.827 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -61.15 -12.83 13.95 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 171.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.33 -37.94 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.15 1.38 . . . . 0.0 111.131 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.3 -29.59 64.03 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.565 1.146 . . . . 0.0 113.139 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -62.75 -13.66 35.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.824 2.05 . . . . 0.0 114.683 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -129.75 5.09 5.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.773 2.029 . . . . 0.0 113.351 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.304 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 119.053 -0.499 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -63.28 -9.96 13.92 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.34 -31.21 72.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.521 1.528 . . . . 0.0 113.347 172.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.71 -34.98 0.11 Allowed Glycine 0 N--CA 1.469 0.889 0 N-CA-C 117.088 1.595 . . . . 0.0 117.088 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.7 mt -52.5 -34.67 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.569 1.547 . . . . 0.0 112.745 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.22 -31.44 70.94 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.215 1.006 . . . . 0.0 111.829 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -82.23 -27.93 32.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.226 1.41 . . . . 0.0 112.111 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.63 -40.51 63.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -63.45 -33.68 76.09 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.083 0.553 . . . . 0.0 111.725 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.89 -42.91 84.74 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.827 0.851 . . . . 0.0 111.742 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -62.67 -37.12 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 112.609 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -60.34 -45.06 94.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.486 1.514 . . . . 0.0 113.263 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.7 -34.94 78.96 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 173.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -61.97 -33.2 73.85 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -72.48 -36.8 68.54 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -65.28 -44.78 86.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.094 0.558 . . . . 0.0 111.912 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.55 -36.34 70.49 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.59 -40.7 84.79 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.618 1.209 . . . . 0.0 110.407 173.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -36.22 83.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 113.9 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.2 -25.37 66.99 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.994 0.918 . . . . 0.0 113.129 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.55 -55.08 5.29 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.37 1.068 . . . . 0.0 111.668 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.7 -48.17 69.81 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.37 1.068 . . . . 0.0 113.474 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -62.95 -12.65 26.95 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.461 1.504 . . . . 0.0 114.481 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.27 -40.99 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.151 1.38 . . . . 0.0 111.079 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -60.98 -29.31 69.6 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -68.12 -16.41 64.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.179 1.392 . . . . 0.0 114.459 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.5 -11.91 59.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.025 1.33 . . . . 0.0 113.61 176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.594 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m 54.75 12.33 0.56 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.619 1.968 . . . . 0.0 116.078 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.43 -39.39 38.86 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.197 1.799 . . . . 0.0 113.314 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.57 -46.84 0.47 Allowed Glycine 0 N--CA 1.467 0.722 0 C-N-CA 125.086 1.327 . . . . 0.0 113.915 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.19 -35.18 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.301 1.44 . . . . 0.0 111.528 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.4 -31.56 55.28 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.084 1.753 . . . . 0.0 112.695 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -79.13 -25.53 42.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.806 1.242 . . . . 0.0 112.946 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -81.13 -40.42 24.05 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.79 -0.569 . . . . 0.0 112.452 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -59.64 -29.19 67.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -67.05 -45.74 76.51 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.557 1.143 . . . . 0.0 112.008 170.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -61.56 -41.11 96.91 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 0.0 112.625 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -63.95 -24.09 67.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 113.881 174.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -85.89 -40.03 16.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.795 0.725 . . . . 0.0 112.361 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -56.05 -32.42 64.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -69.58 -28.55 66.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.79 -35.58 44.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.284 1.034 . . . . 0.0 111.54 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.38 -36.38 90.91 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -65.37 -39.26 92.05 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.062 1.431 . . . . 0.0 111.049 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -73.2 -34.12 65.77 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.762 0.825 . . . . 0.0 112.878 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.54 -31.42 67.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.218 1.007 . . . . 0.0 112.882 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.36 -54.28 13.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.469 1.108 . . . . 0.0 110.969 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.05 -46.62 71.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.631 1.172 . . . . 0.0 113.267 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -60.13 -12.36 8.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.99 -41.09 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.148 1.379 . . . . 0.0 111.131 175.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.47 -26.93 67.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.025 1.33 . . . . 0.0 113.826 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.16 -12.78 54.73 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.979 1.712 . . . . 0.0 114.307 171.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -129.16 6.03 5.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.51 1.924 . . . . 0.0 113.398 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 119.802 -0.142 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 119.777 -0.154 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.252 0.093 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 119.571 -0.252 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 111.359 0.133 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 110.819 -0.067 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 111.185 0.069 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 110.878 -0.045 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 120.401 0.143 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 119.227 -0.416 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.489 0 CA-C-O 119.377 -0.345 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.501 0.191 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -157.01 167.4 30.58 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.6 1.56 . . . . 0.0 111.161 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.78 -21.12 62.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 65.14 0.15 Allowed Glycine 0 C--N 1.334 0.459 0 N-CA-C 106.806 -2.518 . . . . 0.0 106.806 -173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -43.48 -28.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 129.201 3.0 . . . . 0.0 114.136 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -52.07 -24.48 6.87 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.775 2.03 . . . . 0.0 113.402 170.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.1 m -65.7 -19.65 65.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.939 1.295 . . . . 0.0 113.254 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -118.12 -29.81 5.48 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.337 1.455 . . . . 0.0 113.587 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 m -59.83 -26.61 65.95 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.383 0.538 . . . . 0.0 111.867 169.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -64.58 -42.98 95.27 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.404 1.082 . . . . 0.0 111.739 170.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.9 t -64.02 -40.89 97.34 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.803 0.841 . . . . 0.0 112.144 172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -58.28 -37.69 75.51 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -76.82 -36.46 56.87 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -60.94 -25.75 67.01 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.375 1.443 . . . . 0.0 114.179 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -67.89 -39.24 83.7 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.896 0.878 . . . . 0.0 111.968 170.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -65.3 -39.7 92.85 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.161 0.984 . . . . 0.0 111.121 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.8 mtt -61.56 -44.95 96.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.892 0.877 . . . . 0.0 112.213 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -32.76 68.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.413 1.085 . . . . 0.0 112.823 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.61 -45.27 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.344 1.058 . . . . 0.0 111.585 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -57.93 -39.15 77.34 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 119.991 1.269 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.48 -33.3 74.59 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.447 1.499 . . . . 0.0 113.196 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -74.06 -43.03 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.035 0.834 . . . . 0.0 112.534 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -55.58 -44.32 76.79 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.113 1.324 . . . . 0.0 111.969 170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.5 75.33 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.76 81.95 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -38.85 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 118.987 0.812 . . . . 0.0 110.939 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.92 -35.04 72.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.859 0.863 . . . . 0.0 111.452 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.08 -29.12 73.41 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.063 1.316 . . . . 0.0 115.045 173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -69.65 -35.51 75.24 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.632 1.716 . . . . 0.0 111.783 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -84.64 -25.44 28.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.926 1.291 . . . . 0.0 113.28 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.15 -34.75 68.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.839 0.856 . . . . 0.0 112.435 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -62.08 -48.98 77.79 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 123.043 1.401 . . . . 0.0 111.713 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.28 -51.01 70.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 112.154 -2.294 . . . . 0.0 112.234 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -63.17 -12.77 30.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.287 1.435 . . . . 0.0 114.739 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.1 t -101.09 -47.35 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.593 1.157 . . . . 0.0 111.376 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -65.62 -21.96 66.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.937 1.244 . . . . 0.0 114.165 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -77.0 -9.13 58.49 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.837 1.655 . . . . 0.0 114.122 171.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -128.65 -26.86 2.66 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.241 1.416 . . . . 0.0 114.308 -169.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.605 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.499 0.19 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -132.65 13.19 4.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.668 1.187 . . . . 0.0 113.736 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.66 -29.8 70.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.939 1.296 . . . . 0.0 113.966 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.86 -36.94 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.854 1.216 . . . . 0.0 115.147 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.3 mm -51.13 -34.53 14.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.796 1.638 . . . . 0.0 113.122 170.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.41 -30.37 70.1 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.119 0.968 . . . . 0.0 112.185 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -81.19 -35.55 31.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 111.957 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -67.1 -36.76 82.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -65.48 -25.36 67.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.284 0.634 . . . . 0.0 112.529 172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -74.89 -39.53 61.44 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.653 -0.654 . . . . 0.0 111.776 170.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 m -62.74 -29.87 71.0 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.117 -0.989 . . . . 0.0 113.019 170.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -70.0 -37.85 75.82 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.888 0.875 . . . . 0.0 112.015 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -66.55 -35.64 80.72 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -53.99 -28.15 36.04 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.18 -39.45 82.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.596 0.758 . . . . 0.0 112.079 174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -67.24 -38.24 84.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.728 0.811 . . . . 0.0 111.473 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.9 mtp -60.59 -45.0 95.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.688 0.795 . . . . 0.0 112.187 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.45 71.06 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.51 1.124 . . . . 0.0 112.913 175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.71 -43.63 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.081 0.952 . . . . 0.0 111.73 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -58.11 -39.84 79.69 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 120.06 1.3 . . . . 0.0 111.248 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -64.29 -33.5 75.96 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.362 1.465 . . . . 0.0 112.873 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.42 -43.65 63.54 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 118.269 -0.872 . . . . 0.0 112.371 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.96 -45.96 74.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.38 1.445 . . . . 0.0 111.998 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.68 74.65 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.68 -33.46 76.0 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -39.55 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.97 0.804 . . . . 0.0 111.306 177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.69 -35.4 79.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.258 1.023 . . . . 0.0 111.542 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.14 -33.27 51.44 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.97 1.272 . . . . 0.0 114.363 169.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.56 -29.43 67.99 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 118.962 1.381 . . . . 0.0 112.218 176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -85.54 -38.97 17.93 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.058 1.343 . . . . 0.0 113.24 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.58 -34.1 66.83 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.141 0.977 . . . . 0.0 112.782 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -68.16 -44.1 76.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.963 0.887 . . . . 0.0 112.814 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -64.02 -46.86 82.6 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.17 1.388 . . . . 0.0 112.242 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -61.77 -18.09 58.5 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.779 1.232 . . . . 0.0 114.128 175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.1 t -93.44 -34.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.952 1.301 . . . . 0.0 111.995 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.07 -38.81 66.31 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.147 0.885 . . . . 0.0 113.353 171.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -34.0 45.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.474 1.109 . . . . 0.0 112.693 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . 0.289 0.2 OUTLIER 33.56 42.56 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 129.563 3.145 . . . . 0.0 117.23 174.299 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -67.69 0.55 3.14 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.256 1.822 . . . . 0.0 115.564 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.55 -33.29 65.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.068 1.747 . . . . 0.0 113.676 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.23 -38.74 0.14 Allowed Glycine 0 N--CA 1.469 0.866 0 N-CA-C 116.318 1.287 . . . . 0.0 116.318 173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -32.77 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 126.713 2.005 . . . . 0.0 112.799 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -54.44 -35.53 63.06 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.446 1.098 . . . . 0.0 111.874 175.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -76.03 -20.49 57.75 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -81.65 -41.98 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.982 0.513 . . . . 0.0 112.26 171.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 t -62.4 -36.43 82.31 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 0.0 111.372 173.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.84 -48.8 80.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.627 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.7 t -59.46 -42.65 92.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.507 0.723 . . . . 0.0 112.131 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.3 mmt-85 -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.5 1.52 . . . . 0.0 113.229 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.87 -41.72 97.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 171.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -65.73 -21.0 66.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -66.75 -41.55 87.59 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.891 1.223 . . . . 0.0 111.704 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -65.44 -38.05 88.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.497 0.719 . . . . 0.0 111.427 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.19 -43.24 98.77 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.634 0.774 . . . . 0.0 112.23 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.982 0.913 . . . . 0.0 112.342 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.5 -45.62 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.792 0.837 . . . . 0.0 111.541 172.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -59.26 -37.04 76.64 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 119.92 1.237 . . . . 0.0 111.564 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -67.7 -32.3 72.86 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.283 1.433 . . . . 0.0 112.8 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.69 -41.13 69.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.494 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.37 89.51 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.165 1.348 . . . . 0.0 112.355 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.89 -32.7 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -33.84 76.94 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -38.66 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 119.102 0.864 . . . . 0.0 111.114 176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.59 -34.4 74.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.639 0.776 . . . . 0.0 111.054 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.44 -24.11 65.42 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.045 1.783 . . . . 0.0 114.934 174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.35 -32.25 72.14 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.156 1.978 . . . . 0.0 112.44 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -77.22 -27.33 53.42 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.265 1.026 . . . . 0.0 113.294 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.02 -28.78 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.805 0.73 . . . . 0.0 112.798 172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -63.1 -49.0 76.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.026 0.93 . . . . 0.0 110.609 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -54.18 -48.96 70.39 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.198 1.399 . . . . 0.0 112.855 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -63.95 -12.73 40.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.6 t -100.94 -38.37 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.845 1.258 . . . . 0.0 111.105 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.28 -27.59 67.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.797 1.239 . . . . 0.0 113.126 169.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -62.51 -12.99 25.68 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.582 1.953 . . . . 0.0 114.515 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -128.08 6.14 5.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.672 1.989 . . . . 0.0 113.34 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.393 -1.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m 55.96 18.55 3.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.095 1.758 . . . . 0.0 115.494 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -95.69 -28.42 14.81 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.156 1.782 . . . . 0.0 114.152 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -40.48 0.03 OUTLIER Glycine 0 N--CA 1.473 1.106 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.47 -33.52 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.69 1.596 . . . . 0.0 113.029 171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -64.55 -32.32 73.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.897 1.279 . . . . 0.0 112.211 176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.0 m -81.21 -28.96 34.68 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.44 1.096 . . . . 0.0 112.519 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.43 -35.68 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -65.21 -26.22 68.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.645 0.778 . . . . 0.0 112.268 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -79.59 -40.59 29.03 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.81 0.844 . . . . 0.0 111.412 169.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -56.44 -35.34 67.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.22 1.008 . . . . 0.0 112.758 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.88 -29.11 18.46 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.656 1.982 . . . . 0.0 115.301 169.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -87.2 -37.44 17.27 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.35 -31.98 67.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.799 0.84 . . . . 0.0 113.204 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -69.83 -38.98 76.73 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.8 mtp -61.3 -43.38 98.97 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.633 -0.667 . . . . 0.0 112.257 173.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.0 -34.83 72.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.362 1.065 . . . . 0.0 112.692 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.8 -47.25 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -57.79 -40.42 79.81 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.852 1.205 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -64.04 -33.37 75.59 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.402 1.481 . . . . 0.0 113.204 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -74.11 -41.89 60.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.14 0.882 . . . . 0.0 112.545 172.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -56.84 -44.38 82.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.966 1.257 . . . . 0.0 111.766 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.28 73.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 173.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.56 81.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.23 -40.62 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.08 0.854 . . . . 0.0 110.999 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.82 -33.77 74.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.022 0.929 . . . . 0.0 111.703 172.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.73 81.48 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.175 1.369 . . . . 0.0 114.412 169.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.45 -36.85 81.99 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.521 1.661 . . . . 0.0 111.641 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -74.57 -28.15 60.8 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.155 0.982 . . . . 0.0 113.013 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.93 -33.17 71.53 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.667 -0.645 . . . . 0.0 112.424 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -63.75 -45.17 91.04 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.755 1.264 . . . . 0.0 111.227 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.63 -48.93 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 112.893 -1.958 . . . . 0.0 112.152 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.45 -13.44 40.39 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 174.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.66 -39.74 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.823 1.249 . . . . 0.0 111.224 174.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -60.09 -28.9 68.2 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.561 1.144 . . . . 0.0 113.168 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -64.26 -12.37 40.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.578 1.951 . . . . 0.0 114.426 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.62 5.22 5.58 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.622 1.969 . . . . 0.0 113.282 -173.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 O-C-N 120.352 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.688 -0.115 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -129.32 17.53 5.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.401 1.48 . . . . 0.0 112.869 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.55 -32.44 73.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.976 1.31 . . . . 0.0 113.711 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -35.15 0.17 Allowed Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.434 1.016 . . . . 0.0 115.236 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.2 mm -51.36 -30.24 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 128.16 2.584 . . . . 0.0 113.412 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.18 -33.68 53.66 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.317 1.047 . . . . 0.0 112.245 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 m -69.29 -22.52 63.8 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.624 1.169 . . . . 0.0 113.39 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -84.29 -41.66 16.62 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.801 0.84 . . . . 0.0 112.501 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -67.4 -34.7 77.79 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.032 0.533 . . . . 0.0 111.137 169.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -60.23 -43.26 96.2 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.367 -0.833 . . . . 0.0 111.136 169.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -64.83 -33.92 77.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.249 1.02 . . . . 0.0 113.145 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -61.94 -33.64 74.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.162 0.985 . . . . 0.0 113.464 171.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -75.28 -33.2 61.21 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -56.18 -41.62 75.78 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.234 1.379 . . . . 0.0 113.425 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.03 -34.69 75.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.483 0.713 . . . . 0.0 112.776 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -70.98 -39.51 72.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.577 0.751 . . . . 0.0 111.252 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.27 -43.22 95.49 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.968 0.907 . . . . 0.0 111.973 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.48 -34.74 71.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.116 0.966 . . . . 0.0 112.582 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.79 -46.11 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.267 1.027 . . . . 0.0 111.499 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -58.17 -40.27 81.01 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.11 1.323 . . . . 0.0 111.02 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -64.42 -33.41 75.81 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.622 1.569 . . . . 0.0 113.143 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -72.66 -43.54 63.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.009 0.822 . . . . 0.0 112.426 171.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.94 -42.79 76.72 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.315 1.416 . . . . 0.0 112.227 169.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -32.97 74.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.88 82.2 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -38.75 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 119.112 0.869 . . . . 0.0 110.995 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.89 -35.57 75.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.674 0.789 . . . . 0.0 111.196 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.56 -36.23 90.94 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.525 1.536 . . . . 0.0 114.726 172.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -64.07 -41.88 97.19 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.978 1.389 . . . . 0.0 110.845 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -75.01 -34.17 61.89 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.04 -33.65 67.43 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.317 1.047 . . . . 0.0 112.565 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.31 -53.53 12.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.81 1.244 . . . . 0.0 110.966 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -54.14 -47.29 72.05 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.402 1.081 . . . . 0.0 113.326 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.41 -12.49 9.58 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.58 1.552 . . . . 0.0 115.052 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.2 t -109.01 -40.45 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.284 1.434 . . . . 0.0 111.314 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.3 -29.64 69.99 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.291 1.037 . . . . 0.0 113.625 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.69 -17.14 64.48 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.247 1.419 . . . . 0.0 114.307 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -79.06 -10.86 59.95 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.073 1.349 . . . . 0.0 113.666 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.699 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 44.9 t60 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.664 0.269 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -149.39 126.12 11.08 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.666 1.586 . . . . 0.0 110.468 174.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.83 -38.84 92.58 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -175.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.17 -32.07 1.41 Allowed Glycine 0 N--CA 1.472 1.067 0 C-N-CA 124.501 1.048 . . . . 0.0 115.209 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.5 mm -50.9 -31.84 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 127.805 2.442 . . . . 0.0 113.268 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.53 -32.74 67.36 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.923 1.289 . . . . 0.0 112.065 176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -79.4 -11.7 59.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -112.14 -26.8 8.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.224 1.41 . . . . 0.0 112.595 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -62.26 -26.51 68.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.244 0.618 . . . . 0.0 110.967 169.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -65.96 -46.41 78.2 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.835 0.854 . . . . 0.0 111.05 169.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 m -65.35 -23.09 66.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.347 1.459 . . . . 0.0 113.615 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.35 -43.55 49.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.574 1.15 . . . . 0.0 111.426 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -70.4 -37.18 74.42 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -25.27 65.96 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.925 -1.109 . . . . 0.0 113.917 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.19 -33.37 65.36 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.314 1.045 . . . . 0.0 112.799 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -66.57 -42.41 87.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.849 -0.596 . . . . 0.0 111.254 171.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.8 mtm -63.41 -36.61 84.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.274 0.943 . . . . 0.0 112.881 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.91 63.73 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.126 0.97 . . . . 0.0 113.35 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -84.38 -39.89 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.923 1.289 . . . . 0.0 111.921 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.3 -40.25 64.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.645 1.566 . . . . 0.0 111.404 170.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -63.28 -26.51 68.81 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.456 1.103 . . . . 0.0 113.955 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -81.01 -41.06 23.3 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.184 -0.913 . . . . 0.0 112.675 170.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -55.9 -42.21 75.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.755 1.616 . . . . 0.0 111.886 170.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.15 71.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.41 75.64 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -36.04 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 CA-C-N 118.59 0.632 . . . . 0.0 111.248 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.92 -30.85 70.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.321 1.048 . . . . 0.0 111.693 169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.64 -34.03 60.07 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.809 1.195 . . . . 0.0 114.615 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.19 -35.19 79.81 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.117 1.459 . . . . 0.0 112.169 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -80.2 -30.68 38.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.327 1.451 . . . . 0.0 112.311 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -58.78 -30.27 67.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.224 1.01 . . . . 0.0 112.841 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.17 -52.81 60.91 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.193 0.997 . . . . 0.0 110.531 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.25 -46.05 91.15 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.21 -1.359 . . . . 0.0 112.578 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.59 -14.51 30.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.799 1.64 . . . . 0.0 114.546 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -100.12 -42.54 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.936 1.294 . . . . 0.0 111.18 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -60.4 -28.85 68.57 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 172.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.9 -13.93 62.73 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.022 1.729 . . . . 0.0 114.328 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -128.11 0.12 5.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.143 1.777 . . . . 0.0 113.779 -170.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.474 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.604 0.24 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -74.36 11.01 1.06 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.211 1.805 . . . . 0.0 115.234 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -52.93 -31.08 38.23 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.774 2.03 . . . . 0.0 115.51 -170.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.45 29.73 2.87 Favored Glycine 0 N--CA 1.469 0.881 0 C-N-CA 125.545 1.545 . . . . 0.0 113.901 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.6 mm 43.04 -41.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.405 1 C-N-CA 136.848 6.059 . . . . 0.0 118.304 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -59.46 -26.51 65.29 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 126.563 1.945 . . . . 0.0 112.187 171.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -65.39 -29.48 70.19 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.214 1.405 . . . . 0.0 113.232 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.25 -39.72 18.92 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.314 0.646 . . . . 0.0 112.502 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -63.11 -29.86 71.14 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 170.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -70.22 -45.25 66.92 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.656 0.782 . . . . 0.0 111.662 169.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -59.13 -39.36 82.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.557 0.743 . . . . 0.0 112.539 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -62.7 -29.33 70.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.956 2.102 . . . . 0.0 114.6 172.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -87.05 -39.22 15.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.26 1.024 . . . . 0.0 112.923 174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -59.36 -32.9 70.54 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.507 1.923 . . . . 0.0 113.216 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -71.39 -25.87 62.53 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -78.65 -37.74 41.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.961 0.904 . . . . 0.0 111.185 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.4 mtm -62.67 -35.13 78.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.845 -1.159 . . . . 0.0 112.532 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.23 -32.14 69.69 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.069 0.948 . . . . 0.0 112.977 170.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.24 -40.37 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.842 1.257 . . . . 0.0 111.86 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -51.99 -37.11 52.0 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 120.125 1.329 . . . . 0.0 112.78 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.04 -28.27 67.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.684 1.193 . . . . 0.0 113.065 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -75.0 -41.33 59.68 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.641 0.776 . . . . 0.0 112.046 171.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.1 -42.86 86.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.606 1.094 . . . . 0.0 112.157 170.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.5 71.77 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.4 78.07 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -37.51 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.825 0.739 . . . . 0.0 111.026 176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.16 -34.61 72.3 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.994 0.917 . . . . 0.0 111.675 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.35 -34.16 83.84 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.568 1.08 . . . . 0.0 114.633 171.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.05 -36.16 81.44 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.843 1.322 . . . . 0.0 111.475 173.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -78.35 -30.0 47.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.365 1.066 . . . . 0.0 113.169 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -58.88 -31.81 68.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.678 0.791 . . . . 0.0 112.649 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.12 -53.16 41.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.527 1.131 . . . . 0.0 111.035 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -54.27 -47.09 72.7 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.95 1.3 . . . . 0.0 113.067 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.15 -12.56 28.54 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -100.26 -38.49 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.869 1.268 . . . . 0.0 111.113 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.86 -28.64 67.7 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 0.0 113.069 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.84 -11.97 21.62 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.872 2.069 . . . . 0.0 114.514 170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -125.42 5.1 7.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.545 1.938 . . . . 0.0 113.3 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 120.388 -1.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.682 -0.118 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -153.06 107.64 3.15 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.678 1.191 . . . . 0.0 110.989 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.41 -34.77 68.1 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.523 0.729 . . . . 0.0 111.697 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.88 55.76 0.04 OUTLIER Glycine 0 CA--C 1.523 0.576 0 C-N-CA 126.975 2.226 . . . . 0.0 109.908 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.5 mt -53.67 -39.99 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.255 1.022 . . . . 0.0 110.963 171.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.34 -20.44 66.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.683 1.993 . . . . 0.0 113.301 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -90.97 0.68 57.47 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.117 1.367 . . . . 0.0 112.365 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -131.47 -37.12 1.23 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.58 1.152 . . . . 0.0 113.881 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -60.15 -27.89 67.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.443 0.639 . . . . 0.0 111.286 169.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.2 -49.36 74.52 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.853 1.261 . . . . 0.0 111.678 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 m -66.63 -33.48 75.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.195 1.398 . . . . 0.0 113.063 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -59.13 -32.48 69.89 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.323 1.449 . . . . 0.0 112.932 169.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -82.38 -34.34 28.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.436 0.694 . . . . 0.0 112.369 172.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.02 -43.77 91.63 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.633 -1.292 . . . . 0.0 112.438 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -72.65 -27.34 62.06 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -81.76 -34.62 30.33 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.221 0.464 . . . . 0.0 111.359 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 88.2 mmm -64.8 -41.75 95.55 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.647 0.779 . . . . 0.0 112.534 174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 -38.01 65.44 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.871 0.868 . . . . 0.0 112.225 173.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.4 -45.18 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.745 1.218 . . . . 0.0 111.808 173.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -58.42 -35.29 71.85 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.115 1.325 . . . . 0.0 112.121 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -65.49 -32.94 74.81 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.39 1.476 . . . . 0.0 112.745 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.52 -40.98 63.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.796 -0.621 . . . . 0.0 112.362 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.81 -45.4 90.03 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.719 1.145 . . . . 0.0 111.987 169.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -33.16 71.77 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.87 78.98 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.98 -37.44 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 118.686 0.675 . . . . 0.0 111.141 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.33 -35.31 75.34 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.101 0.96 . . . . 0.0 111.303 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.2 -31.41 62.15 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.167 1.365 . . . . 0.0 114.685 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.157 1.478 . . . . 0.0 111.838 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.79 -31.81 23.7 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.456 1.503 . . . . 0.0 112.203 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -56.99 -29.99 63.75 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.6 1.16 . . . . 0.0 113.05 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -61.79 -51.23 69.13 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.495 1.14 . . . . 0.0 110.619 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -65.42 -46.01 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.935 -1.484 . . . . 0.0 112.626 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -62.75 -16.8 59.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.142 1.377 . . . . 0.0 113.989 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 t -89.56 -44.33 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.134 . . . . 0.0 110.925 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.58 -28.06 69.08 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 172.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -69.35 -9.95 55.72 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.214 1.806 . . . . 0.0 114.343 172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -130.45 4.69 4.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.446 1.898 . . . . 0.0 113.576 -173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.417 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.396 0.141 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -64.22 157.39 25.91 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 112.726 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -151.74 -52.82 0.12 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 112.21 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.12 1.02 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.898 1.237 . . . . 0.0 113.473 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.3 mm -54.42 -28.88 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 127.605 2.362 . . . . 0.0 113.339 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.84 -34.36 53.75 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.592 1.157 . . . . 0.0 111.915 171.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.5 -29.74 61.53 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.529 1.132 . . . . 0.0 112.891 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.02 -39.17 42.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 112.616 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -61.71 -29.71 70.28 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.992 0.517 . . . . 0.0 112.088 171.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -78.89 -38.4 37.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.777 0.831 . . . . 0.0 112.823 170.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -61.28 -33.69 73.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -21.93 9.84 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.598 1.959 . . . . 0.0 115.86 170.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -87.16 -23.39 24.83 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 171.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -63.1 -33.77 76.18 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.303 1.411 . . . . 0.0 112.381 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -71.17 -33.21 69.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.034 0.933 . . . . 0.0 113.046 173.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.96 -39.97 83.29 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 110.819 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.16 -43.14 96.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.936 0.894 . . . . 0.0 112.446 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.06 68.83 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.944 0.898 . . . . 0.0 112.675 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.95 -47.55 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.391 1.076 . . . . 0.0 111.473 170.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -57.82 -40.55 80.25 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 120.111 1.323 . . . . 0.0 111.193 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -62.0 -34.99 77.19 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.631 1.572 . . . . 0.0 113.0 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -72.97 -43.45 62.25 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.082 0.855 . . . . 0.0 112.647 172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.89 -41.93 75.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 120.06 1.3 . . . . 0.0 112.411 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.15 75.22 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.04 -33.41 75.98 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.28 -39.93 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 CA-C-N 119.09 0.859 . . . . 0.0 110.994 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.34 -35.92 76.78 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.98 0.912 . . . . 0.0 111.016 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.92 -33.1 59.89 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.741 1.638 . . . . 0.0 114.629 171.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.08 -30.47 70.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.455 1.627 . . . . 0.0 112.249 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -84.77 -26.84 27.29 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.46 1.104 . . . . 0.0 112.924 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -64.66 -24.6 67.63 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -60.35 -48.23 82.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.498 1.119 . . . . 0.0 110.489 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -57.14 -45.81 83.24 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.506 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.99 -15.19 28.92 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.261 1.424 . . . . 0.0 114.494 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.44 -41.36 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.352 1.461 . . . . 0.0 111.247 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -62.15 -25.85 67.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -68.71 -11.23 59.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.754 1.622 . . . . 0.0 114.313 170.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -129.81 -0.93 4.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.045 1.738 . . . . 0.0 113.935 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 119.905 -0.093 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -60.45 2.68 0.09 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 117.683 2.475 . . . . 0.0 117.683 -171.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.2 -35.67 62.62 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.033 1.733 . . . . 0.0 114.392 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.43 49.3 0.16 Allowed Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.049 1.309 . . . . 0.0 112.466 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.2 mt -53.68 -39.31 37.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.567 1.147 . . . . 0.0 110.883 169.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.67 -29.21 67.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 126.266 1.827 . . . . 0.0 111.857 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 m -78.61 -33.65 47.26 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.786 0.834 . . . . 0.0 112.208 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.61 -39.75 67.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.598 0.759 . . . . 0.0 112.378 171.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.96 -31.19 72.29 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -75.49 -30.3 59.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.586 1.154 . . . . 0.0 112.247 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -71.69 -39.97 69.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.092 0.957 . . . . 0.0 112.157 171.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 mtt180 -60.44 -38.69 84.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.751 1.62 . . . . 0.0 113.142 170.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -61.98 -40.94 97.33 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -59.99 -41.21 91.56 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 121.255 -0.903 . . . . 0.0 113.035 173.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.44 -34.2 76.72 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -65.92 -46.96 76.34 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.934 0.494 . . . . 0.0 111.195 170.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.53 -38.38 90.81 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.504 0.722 . . . . 0.0 112.757 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.31 62.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.993 0.917 . . . . 0.0 112.547 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.28 -44.76 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -41.35 63.61 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 120.806 1.639 . . . . 0.0 111.681 172.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.44 -30.7 71.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.539 1.135 . . . . 0.0 113.312 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.45 -39.55 32.01 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.504 -0.76 . . . . 0.0 112.548 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.54 -44.93 89.77 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.445 1.475 . . . . 0.0 111.696 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.09 -33.83 69.51 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.18 0.992 . . . . 0.0 113.225 174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.3 80.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -40.56 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 118.81 0.732 . . . . 0.0 110.825 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.0 -35.43 76.83 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.814 0.845 . . . . 0.0 111.692 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -33.36 67.82 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.891 1.234 . . . . 0.0 114.877 169.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -68.97 -36.03 77.41 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.413 1.607 . . . . 0.0 111.766 172.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -84.45 -30.78 25.0 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -58.22 -32.34 68.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.563 1.145 . . . . 0.0 112.456 175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.1 -54.17 28.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -54.48 -46.85 73.47 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.307 -1.315 . . . . 0.0 113.069 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -61.33 -12.73 15.0 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.752 1.621 . . . . 0.0 114.808 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -106.09 -38.9 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.331 1.452 . . . . 0.0 111.301 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.95 -28.18 67.42 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.544 1.138 . . . . 0.0 113.463 170.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -64.78 -11.47 37.09 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.507 1.923 . . . . 0.0 114.365 171.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -127.21 6.45 6.44 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.879 2.072 . . . . 0.0 113.113 -176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.406 0.146 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -151.76 158.2 43.02 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.185 1.394 . . . . 0.0 110.641 173.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.08 -31.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.54 34.7 0.64 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 -173.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.288 25.0 mt 60.98 -35.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 1 C-N-CA 133.122 4.569 . . . . 0.0 115.662 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.93 -30.46 69.08 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 125.254 1.421 . . . . 0.0 110.333 169.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -64.54 -11.6 35.97 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 127.703 2.401 . . . . 0.0 115.29 172.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -109.38 -33.85 6.71 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.401 1.48 . . . . 0.0 112.349 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -59.84 -27.49 66.68 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.945 -0.472 . . . . 0.0 111.386 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -40.18 88.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.55 0.74 . . . . 0.0 111.965 170.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -65.3 -37.23 86.51 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.526 1.13 . . . . 0.0 112.477 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.83 -39.58 92.3 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.991 0.916 . . . . 0.0 113.438 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.23 -34.47 72.9 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 173.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -62.58 -15.79 53.03 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.072 1.349 . . . . 0.0 114.414 175.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.84 -33.7 52.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.202 1.001 . . . . 0.0 112.759 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -68.62 -36.25 78.39 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.774 0.83 . . . . 0.0 112.103 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -68.14 -36.65 80.02 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.372 -0.83 . . . . 0.0 112.629 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.39 74.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.329 1.052 . . . . 0.0 112.522 173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.14 -46.43 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.056 0.942 . . . . 0.0 111.213 172.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -58.39 -40.48 82.5 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 120.029 1.286 . . . . 0.0 111.271 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -64.03 -33.23 75.27 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.302 1.441 . . . . 0.0 113.049 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -73.32 -42.92 61.78 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.51 171.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.1 -43.64 74.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.371 1.441 . . . . 0.0 112.186 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.08 76.46 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.88 73.04 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.18 -38.78 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 119.18 0.9 . . . . 0.0 110.909 175.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.43 -33.83 71.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.913 0.885 . . . . 0.0 111.722 170.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.57 -33.06 70.43 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.975 1.274 . . . . 0.0 114.64 170.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -66.14 -37.56 86.0 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.02 1.41 . . . . 0.0 111.309 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.15 -33.35 69.96 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.72 0.808 . . . . 0.0 112.162 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.95 -29.82 68.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 173.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -68.53 -53.29 24.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.453 0.701 . . . . 0.0 110.54 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -54.26 -46.82 72.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.009 1.324 . . . . 0.0 113.22 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -61.27 -12.47 13.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.815 1.646 . . . . 0.0 114.902 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.1 t -110.96 -38.6 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.35 1.46 . . . . 0.0 111.608 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -63.03 -18.43 63.33 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.093 1.357 . . . . 0.0 114.005 171.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -69.97 -7.38 40.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.747 1.619 . . . . 0.0 114.071 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -135.12 -177.32 4.59 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.436 2.294 . . . . 0.0 110.443 -173.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 121.097 -1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 119.207 -0.425 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -128.47 33.32 4.7 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.66 1.584 . . . . 0.0 111.828 -172.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.85 -29.93 65.38 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.089 2.156 . . . . 0.0 115.373 -169.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.18 -42.31 0.17 Allowed Glycine 0 N--CA 1.47 0.966 0 N-CA-C 115.446 0.938 . . . . 0.0 115.446 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.8 mm -52.92 -32.68 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.753 2.021 . . . . 0.0 112.476 174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -51.44 -33.22 29.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.173 1.789 . . . . 0.0 112.634 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -81.47 -7.52 59.59 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.849 1.26 . . . . 0.0 114.361 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -119.95 -25.85 5.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.376 1.47 . . . . 0.0 112.49 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 t -73.96 -22.37 59.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.739 0.816 . . . . 0.0 109.202 167.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -64.23 -33.92 76.91 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.09 -1.006 . . . . 0.0 111.614 169.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -63.04 -43.11 99.56 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.905 -0.497 . . . . 0.0 111.773 171.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.06 -44.26 94.84 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.583 1.153 . . . . 0.0 112.19 172.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.06 -33.24 74.02 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -76.54 -24.47 53.62 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -82.6 -35.13 27.33 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.118 0.872 . . . . 0.0 112.555 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -69.18 -34.64 75.24 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 ptp -65.95 -37.58 86.38 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.453 -0.78 . . . . 0.0 112.728 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.68 73.71 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.083 0.953 . . . . 0.0 112.459 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.3 t -69.33 -47.91 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.264 1.026 . . . . 0.0 111.091 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -58.84 -38.02 77.77 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 119.759 1.163 . . . . 0.0 111.546 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -62.76 -32.06 73.13 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.27 1.428 . . . . 0.0 113.477 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -74.75 -41.07 60.79 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.161 0.892 . . . . 0.0 112.511 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.44 -43.03 83.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.986 1.266 . . . . 0.0 112.066 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.32 73.72 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -34.09 77.54 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -40.8 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 CA-C-N 119.062 0.846 . . . . 0.0 111.184 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.13 -36.43 79.71 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.381 1.073 . . . . 0.0 111.308 171.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.58 60.97 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.749 1.642 . . . . 0.0 114.579 169.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.85 -35.43 80.64 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.655 1.728 . . . . 0.0 111.879 176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -78.38 -28.27 47.01 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.208 1.003 . . . . 0.0 112.681 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.72 -29.78 70.34 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -62.09 -48.65 79.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.758 1.266 . . . . 0.0 110.978 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.95 -48.78 80.3 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 112.539 -2.118 . . . . 0.0 112.074 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.8 mmt180 -62.5 -12.71 23.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.398 1.479 . . . . 0.0 114.877 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -105.16 -42.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.989 1.316 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.45 -24.34 66.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.493 1.117 . . . . 0.0 113.763 172.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.01 -14.21 52.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.634 1.574 . . . . 0.0 114.269 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.95 7.77 4.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.902 2.081 . . . . 0.0 113.29 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 120.362 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.777 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -159.44 164.85 34.19 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.873 1.669 . . . . 0.0 111.246 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.74 -43.53 0.15 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.436 1.095 . . . . 0.0 113.138 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -37.89 0.22 Allowed Glycine 0 N--CA 1.472 1.046 0 C-N-CA 124.114 0.864 . . . . 0.0 114.667 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.85 -28.79 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.204 2.602 . . . . 0.0 113.467 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -56.57 -24.65 48.77 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.182 0.993 . . . . 0.0 112.624 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -66.39 -27.25 67.72 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.186 0.994 . . . . 0.0 113.315 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -80.14 -37.47 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.662 -0.649 . . . . 0.0 112.651 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -62.39 -36.02 81.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 120.82 0.343 . . . . 0.0 111.37 170.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -62.25 -44.83 95.66 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.766 0.826 . . . . 0.0 111.635 172.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.6 t -61.76 -39.82 92.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.635 0.774 . . . . 0.0 112.485 174.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -62.12 -34.77 76.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.904 1.281 . . . . 0.0 114.037 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -67.02 -31.93 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -27.32 68.6 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.571 -1.331 . . . . 0.0 112.502 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -71.45 -41.16 69.79 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.939 0.791 . . . . 0.0 111.462 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -72.37 -32.42 66.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -65.46 -44.27 87.73 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.369 1.068 . . . . 0.0 112.603 173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.27 -40.91 78.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.061 0.944 . . . . 0.0 111.998 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.92 -46.38 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.985 0.914 . . . . 0.0 111.76 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.45 -38.56 81.04 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.917 1.235 . . . . 0.0 111.359 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.67 -32.55 71.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.419 1.487 . . . . 0.0 112.385 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -70.78 -42.69 70.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.63 0.772 . . . . 0.0 112.091 171.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.09 -44.59 87.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.759 1.163 . . . . 0.0 111.842 169.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.44 72.31 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.84 79.12 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.16 -40.61 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 118.891 0.769 . . . . 0.0 110.825 177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.6 -33.53 74.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.207 1.003 . . . . 0.0 111.56 171.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.51 -35.48 72.91 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.208 1.385 . . . . 0.0 114.467 169.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.7 -34.84 77.69 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.501 1.651 . . . . 0.0 111.884 173.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -73.68 -32.93 64.2 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.379 1.072 . . . . 0.0 112.309 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.57 -25.14 68.1 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.463 1.105 . . . . 0.0 113.142 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.86 -50.86 72.12 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.21 1.005 . . . . 0.0 110.27 173.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -60.66 -44.98 95.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.087 -1.415 . . . . 0.0 113.006 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -63.6 -12.87 36.71 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.97 -38.96 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.301 1.44 . . . . 0.0 111.053 173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -57.52 -27.66 62.79 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.393 1.077 . . . . 0.0 113.124 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -60.39 -21.91 62.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.251 1.821 . . . . 0.0 114.872 174.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -80.99 -10.19 59.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.988 1.315 . . . . 0.0 113.145 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.459 0.171 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -136.44 153.41 51.08 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.66 1.584 . . . . 0.0 110.925 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -148.44 -47.69 0.15 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.921 0.888 . . . . 0.0 112.866 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.69 -46.53 11.24 Favored Glycine 0 N--CA 1.468 0.824 0 O-C-N 121.474 -0.767 . . . . 0.0 112.056 177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 mm -59.34 -37.0 66.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.865 1.266 . . . . 0.0 111.703 169.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -69.71 -28.03 65.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.337 0.655 . . . . 0.0 111.806 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.2 m -70.63 -23.36 62.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.966 0.906 . . . . 0.0 112.825 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.82 -39.21 36.2 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.275 -0.89 . . . . 0.0 113.03 170.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -63.19 -36.9 85.16 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 122.322 -0.237 . . . . 0.0 111.327 169.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.6 -39.19 91.3 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 112.09 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -63.05 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.426 0.69 . . . . 0.0 111.86 172.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -63.77 -32.55 74.09 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -68.83 -43.51 75.36 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.782 0.719 . . . . 0.0 111.529 169.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -61.71 -26.52 68.1 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -65.16 -42.33 93.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.267 1.027 . . . . 0.0 112.087 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -65.37 -37.78 88.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.197 0.599 . . . . 0.0 111.729 173.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.3 mmt -64.16 -42.18 96.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.459 -0.775 . . . . 0.0 112.49 174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -39.7 76.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.024 0.93 . . . . 0.0 112.299 173.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.34 -45.77 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.614 0.766 . . . . 0.0 111.529 172.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.05 -37.24 76.54 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 120.028 1.286 . . . . 0.0 111.504 179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.34 -31.66 69.04 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.413 1.485 . . . . 0.0 112.611 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -69.61 -43.14 73.36 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.735 0.698 . . . . 0.0 111.983 170.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.73 -44.08 90.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.512 1.051 . . . . 0.0 112.028 169.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.35 72.55 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.25 77.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.55 -40.54 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.817 0.735 . . . . 0.0 111.098 177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.7 -35.76 78.97 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.334 1.054 . . . . 0.0 111.417 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.45 61.08 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.575 1.56 . . . . 0.0 114.467 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -67.13 -34.62 77.98 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.436 1.618 . . . . 0.0 111.786 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -79.52 -28.86 41.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.441 1.097 . . . . 0.0 113.168 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.55 -31.78 69.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.432 0.693 . . . . 0.0 112.834 173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -67.25 -52.5 40.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.414 1.086 . . . . 0.0 110.836 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -56.18 -49.05 75.12 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.042 1.337 . . . . 0.0 113.191 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -62.29 -12.74 22.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.491 1.517 . . . . 0.0 114.796 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -101.15 -42.74 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.822 1.249 . . . . 0.0 111.105 174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -27.65 68.64 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -76.42 -8.3 56.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.003 1.721 . . . . 0.0 114.346 173.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -129.52 -26.17 2.54 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.03 1.332 . . . . 0.0 114.327 -169.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.525 -1.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m80 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.277 0.084 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -138.32 4.61 2.44 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.806 1.242 . . . . 0.0 114.335 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.2 -22.58 63.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.908 1.683 . . . . 0.0 115.367 -172.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.15 54.71 0.21 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 126.453 1.977 . . . . 0.0 109.211 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -51.18 -40.26 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.678 1.191 . . . . 0.0 110.448 169.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -63.82 -22.24 66.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.891 2.076 . . . . 0.0 113.44 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -90.14 -6.68 55.12 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.207 1.403 . . . . 0.0 112.883 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -130.24 -27.51 2.22 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.631 1.172 . . . . 0.0 113.66 -174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 t -67.64 -25.48 65.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.411 -0.806 . . . . 0.0 109.348 168.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.13 -43.07 95.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.196 0.998 . . . . 0.0 111.228 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -69.83 -25.67 63.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.607 1.163 . . . . 0.0 113.605 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -65.33 -36.36 83.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 113.151 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.38 -26.89 68.96 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -55.45 -34.7 64.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.362 1.065 . . . . 0.0 112.977 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.59 1.156 . . . . 0.0 112.42 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -69.83 -39.82 76.24 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 111.185 172.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.9 mtt -62.98 -38.97 93.27 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.135 -0.978 . . . . 0.0 112.199 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -31.55 69.78 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.08 0.952 . . . . 0.0 113.01 172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.3 t -75.16 -45.11 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.407 1.083 . . . . 0.0 111.556 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -51.83 -42.44 62.55 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 120.032 1.287 . . . . 0.0 111.589 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -65.49 -32.25 73.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.747 1.219 . . . . 0.0 113.363 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -71.12 -44.39 65.71 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.131 0.878 . . . . 0.0 112.428 170.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.15 -41.58 72.0 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.332 1.424 . . . . 0.0 112.49 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.08 77.35 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -33.96 77.23 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -40.31 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-N 119.331 0.969 . . . . 0.0 110.844 176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.33 -34.33 73.66 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.019 0.928 . . . . 0.0 111.439 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.91 -33.54 83.95 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.098 1.332 . . . . 0.0 114.543 171.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -65.67 -38.19 88.6 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.428 1.614 . . . . 0.0 111.059 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -74.09 -30.76 62.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.015 0.926 . . . . 0.0 112.892 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.27 -31.72 67.71 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.739 0.815 . . . . 0.0 112.96 173.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -69.08 -51.14 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.354 1.062 . . . . 0.0 111.013 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -54.64 -45.29 73.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.904 1.281 . . . . 0.0 112.958 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -60.03 -12.63 8.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.77 1.628 . . . . 0.0 114.979 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.6 t -106.08 -40.33 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.262 1.425 . . . . 0.0 111.14 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -60.91 -26.88 67.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.962 . . . . 0.0 113.541 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -65.44 -12.35 51.57 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.31 1.844 . . . . 0.0 114.366 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -128.29 4.8 5.75 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.227 1.811 . . . . 0.0 113.441 -172.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.438 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.617 0.246 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.8 m 54.61 26.87 7.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.95 -42.44 99.82 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.169 -0.957 . . . . 0.0 112.607 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.31 -49.15 0.33 Allowed Glycine 0 N--CA 1.469 0.834 0 C-N-CA 125.361 1.458 . . . . 0.0 112.755 169.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.4 mm -56.02 -35.32 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 125.592 1.557 . . . . 0.0 111.713 170.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -59.63 -26.0 65.14 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.252 1.821 . . . . 0.0 113.28 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -113.22 -10.2 13.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.476 1.111 . . . . 0.0 113.873 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -80.89 -39.46 26.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.535 0.734 . . . . 0.0 111.434 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -62.52 -31.16 71.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.45 0.7 . . . . 0.0 111.708 169.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -71.28 -44.55 65.02 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.145 0.578 . . . . 0.0 111.892 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -61.59 -34.08 75.0 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.843 0.857 . . . . 0.0 113.075 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -62.58 -28.71 70.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.059 1.744 . . . . 0.0 113.499 169.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -87.34 -29.42 21.58 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.673 1.189 . . . . 0.0 113.874 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -52.29 -35.07 49.38 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 119.905 1.23 . . . . 0.0 113.72 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.66 -37.62 79.78 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.982 0.913 . . . . 0.0 112.063 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -70.12 -37.88 75.45 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.706 1.602 . . . . 0.0 110.878 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 94.4 mtp -63.66 -45.97 87.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.26 1.024 . . . . 0.0 112.18 175.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.76 69.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.581 1.152 . . . . 0.0 112.652 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.85 -48.85 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.339 1.056 . . . . 0.0 111.395 171.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -58.21 -40.71 82.33 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.944 1.247 . . . . 0.0 111.156 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.52 -33.58 75.9 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.55 1.54 . . . . 0.0 112.929 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -74.55 -41.89 59.78 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.762 0.71 . . . . 0.0 112.586 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.43 -43.15 75.08 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.146 1.339 . . . . 0.0 112.26 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.43 75.86 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.58 80.99 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.96 -40.56 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 119.196 0.907 . . . . 0.0 111.231 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.39 -37.78 81.88 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.103 0.961 . . . . 0.0 111.544 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.57 -34.41 55.49 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.156 1.36 . . . . 0.0 114.867 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -68.31 -30.47 69.46 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.269 1.534 . . . . 0.0 112.433 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -85.66 -35.27 21.02 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.924 1.29 . . . . 0.0 113.81 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -57.94 -30.64 66.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.893 1.277 . . . . 0.0 113.117 -177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -62.25 -42.4 99.3 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.212 1.006 . . . . 0.0 112.777 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -42.48 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.06 1.344 . . . . 0.0 112.444 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -58.7 -21.69 55.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.3 t -89.09 -47.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.902 1.281 . . . . 0.0 111.286 173.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.12 -26.02 67.39 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.21 -15.57 63.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.062 1.745 . . . . 0.0 114.253 172.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -127.55 1.28 6.21 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.425 1.89 . . . . 0.0 113.592 -171.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 120.458 -1.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -73.87 9.4 1.52 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.302 1.841 . . . . 0.0 115.463 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.26 -30.64 39.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.277 2.231 . . . . 0.0 115.379 -171.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 37.8 0.1 OUTLIER Glycine 0 C--N 1.338 0.647 0 C-N-CA 124.295 0.95 . . . . 0.0 114.545 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.12 -38.07 71.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.518 1.127 . . . . 0.0 110.883 169.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.06 -33.28 73.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.653 1.181 . . . . 0.0 110.935 172.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -72.41 -32.53 66.44 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.845 0.858 . . . . 0.0 112.447 -178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -74.64 -42.21 58.96 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.143 0.577 . . . . 0.0 112.457 171.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m -62.81 -30.48 71.51 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.172 0.589 . . . . 0.0 112.253 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -67.23 -39.02 86.15 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.568 1.147 . . . . 0.0 111.778 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t -68.04 -36.28 79.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.523 0.729 . . . . 0.0 112.578 173.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -55.07 -37.79 67.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.516 1.126 . . . . 0.0 113.462 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.97 -41.0 95.83 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -68.62 -29.47 67.98 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.787 -1.195 . . . . 0.0 112.107 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -71.83 -39.32 69.85 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.027 0.931 . . . . 0.0 112.2 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -74.75 -32.91 62.22 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.126 0.421 . . . . 0.0 111.76 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -61.28 -45.58 93.92 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.248 1.019 . . . . 0.0 112.485 173.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -32.0 66.21 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.356 1.063 . . . . 0.0 112.857 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.55 -46.06 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.491 1.116 . . . . 0.0 111.599 171.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -57.47 -38.29 74.28 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 119.876 1.216 . . . . 0.0 111.547 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -61.21 -31.66 71.43 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.493 1.517 . . . . 0.0 113.458 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -78.66 -39.89 35.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.876 0.762 . . . . 0.0 112.646 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.72 -44.53 81.7 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.136 1.335 . . . . 0.0 111.66 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.03 72.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.983 0.913 . . . . 0.0 113.363 173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.61 76.34 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -41.24 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.929 0.786 . . . . 0.0 111.009 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.73 -35.01 75.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.816 0.846 . . . . 0.0 111.624 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.81 -34.62 61.39 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.073 1.32 . . . . 0.0 114.684 169.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.08 -36.16 81.4 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.43 1.615 . . . . 0.0 111.616 175.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.67 -30.21 51.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.794 1.238 . . . . 0.0 112.48 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -61.95 -27.07 68.57 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.697 0.799 . . . . 0.0 112.919 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.92 -46.77 89.34 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.993 1.378 . . . . 0.0 111.21 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -63.3 -45.88 89.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 112.627 -2.079 . . . . 0.0 112.324 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -61.23 -14.19 24.01 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.437 1.495 . . . . 0.0 114.776 174.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.61 -40.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.077 1.351 . . . . 0.0 111.349 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -58.76 -29.62 66.9 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.57 1.148 . . . . 0.0 113.435 170.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -65.27 -14.75 61.45 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.167 1.787 . . . . 0.0 114.478 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -123.12 2.21 9.24 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.377 1.871 . . . . 0.0 113.496 -172.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 t60 . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.732 -0.099 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -144.13 151.96 40.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.397 1.479 . . . . 0.0 111.563 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -152.59 -45.02 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.586 1.154 . . . . 0.0 112.603 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.12 42.07 0.09 OUTLIER Glycine 0 C--N 1.338 0.683 0 C-N-CA 125.068 1.318 . . . . 0.0 112.687 176.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mm -56.41 -36.59 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.834 169.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -66.11 -29.69 70.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.672 1.989 . . . . 0.0 111.695 173.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.2 m -84.18 -30.11 26.08 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.462 1.105 . . . . 0.0 112.501 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.07 -38.47 66.43 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 123.904 0.881 . . . . 0.0 112.264 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -67.46 -30.31 70.0 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.446 0.699 . . . . 0.0 112.154 170.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -68.27 -37.31 80.58 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.773 -0.579 . . . . 0.0 111.181 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -68.54 -28.95 67.44 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.005 0.922 . . . . 0.0 112.911 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -62.84 -34.58 77.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.461 1.104 . . . . 0.0 113.823 170.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.93 -37.49 87.81 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.772 0.715 . . . . 0.0 112.558 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.0 -27.16 68.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.719 1.207 . . . . 0.0 113.645 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -74.82 -35.38 62.45 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.917 0.887 . . . . 0.0 111.543 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -63.96 -40.99 97.69 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.209 0.604 . . . . 0.0 111.146 174.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.86 -44.6 96.5 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.373 1.069 . . . . 0.0 112.288 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.39 72.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.276 1.031 . . . . 0.0 112.639 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.5 -44.98 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.172 0.989 . . . . 0.0 111.663 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -57.89 -39.92 79.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.254 1.388 . . . . 0.0 111.322 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -64.51 -32.0 73.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.495 1.518 . . . . 0.0 113.124 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -73.92 -42.89 59.95 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.518 170.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.76 -42.49 71.74 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.448 1.476 . . . . 0.0 112.272 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.27 77.22 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 173.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.4 78.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -38.11 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 119.107 0.867 . . . . 0.0 111.171 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.19 -35.0 72.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.248 1.019 . . . . 0.0 111.64 169.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.08 -26.67 58.83 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.694 1.14 . . . . 0.0 115.332 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -71.22 -31.82 68.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.707 1.753 . . . . 0.0 111.917 171.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -74.26 -29.48 61.7 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.158 0.983 . . . . 0.0 112.357 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.77 -30.6 70.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.728 -0.608 . . . . 0.0 112.533 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -70.01 -42.43 73.02 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.734 1.254 . . . . 0.0 112.465 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -59.67 -42.67 93.42 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.827 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -61.15 -12.83 13.95 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 171.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -101.33 -37.94 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.15 1.38 . . . . 0.0 111.131 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.3 -29.59 64.03 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.565 1.146 . . . . 0.0 113.139 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -62.75 -13.66 35.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.824 2.05 . . . . 0.0 114.683 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -129.75 5.09 5.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.773 2.029 . . . . 0.0 113.351 -174.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.304 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 119.053 -0.499 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -63.28 -9.96 13.92 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.983 1.845 . . . . 0.0 115.983 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.34 -31.21 72.3 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.521 1.528 . . . . 0.0 113.347 172.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.71 -34.98 0.11 Allowed Glycine 0 N--CA 1.469 0.889 0 N-CA-C 117.088 1.595 . . . . 0.0 117.088 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.7 mt -52.5 -34.67 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 125.569 1.547 . . . . 0.0 112.745 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.22 -31.44 70.94 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.215 1.006 . . . . 0.0 111.829 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -82.23 -27.93 32.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.226 1.41 . . . . 0.0 112.111 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.63 -40.51 63.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.687 -0.633 . . . . 0.0 112.004 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -63.45 -33.68 76.09 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.083 0.553 . . . . 0.0 111.725 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.89 -42.91 84.74 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.827 0.851 . . . . 0.0 111.742 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -62.67 -37.12 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 112.609 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -60.34 -45.06 94.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.486 1.514 . . . . 0.0 113.263 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.7 -34.94 78.96 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 173.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -61.97 -33.2 73.85 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -72.48 -36.8 68.54 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -65.28 -44.78 86.92 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.094 0.558 . . . . 0.0 111.912 176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptp -68.69 -31.43 70.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.04 0.836 . . . . 0.0 113.101 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.29 67.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.17 0.988 . . . . 0.0 112.876 169.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -81.95 -40.05 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.84 1.256 . . . . 0.0 111.907 174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.58 -40.21 65.45 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 120.575 1.534 . . . . 0.0 111.523 171.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -63.71 -24.59 67.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.521 1.128 . . . . 0.0 113.823 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -83.49 -39.9 19.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.797 170.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -54.71 -40.7 69.47 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.988 1.722 . . . . 0.0 112.183 170.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.66 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.36 -33.36 75.06 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -35.12 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 118.734 0.697 . . . . 0.0 111.355 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.4 -35.92 78.87 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.238 1.015 . . . . 0.0 110.996 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.55 -36.34 70.49 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.846 1.212 . . . . 0.0 115.028 171.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.59 -40.7 84.79 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.618 1.209 . . . . 0.0 110.407 173.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -36.22 83.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.732 1.213 . . . . 0.0 113.9 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.2 -25.37 66.99 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.994 0.918 . . . . 0.0 113.129 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.55 -55.08 5.29 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.37 1.068 . . . . 0.0 111.668 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.7 -48.17 69.81 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.37 1.068 . . . . 0.0 113.474 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -62.95 -12.65 26.95 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.461 1.504 . . . . 0.0 114.481 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.27 -40.99 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.151 1.38 . . . . 0.0 111.079 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -60.98 -29.31 69.6 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 172.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -68.12 -16.41 64.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.179 1.392 . . . . 0.0 114.459 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -76.5 -11.91 59.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.025 1.33 . . . . 0.0 113.61 176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.594 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m 54.75 12.33 0.56 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.619 1.968 . . . . 0.0 116.078 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.43 -39.39 38.86 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.197 1.799 . . . . 0.0 113.314 -177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.57 -46.84 0.47 Allowed Glycine 0 N--CA 1.467 0.722 0 C-N-CA 125.086 1.327 . . . . 0.0 113.915 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.19 -35.18 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.301 1.44 . . . . 0.0 111.528 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.4 -31.56 55.28 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.084 1.753 . . . . 0.0 112.695 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -79.13 -25.53 42.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.806 1.242 . . . . 0.0 112.946 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -81.13 -40.42 24.05 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.79 -0.569 . . . . 0.0 112.452 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -59.64 -29.19 67.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -67.05 -45.74 76.51 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.557 1.143 . . . . 0.0 112.008 170.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -61.56 -41.11 96.91 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.132 0.973 . . . . 0.0 112.625 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -63.95 -24.09 67.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 113.881 174.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -85.89 -40.03 16.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.795 0.725 . . . . 0.0 112.361 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -56.05 -32.42 64.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -69.58 -28.55 66.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.79 -35.58 44.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.284 1.034 . . . . 0.0 111.54 172.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.1 mtp -58.46 -42.72 88.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.091 0.859 . . . . 0.0 112.022 174.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.84 -30.86 66.1 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.684 1.194 . . . . 0.0 113.281 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.71 -39.23 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.994 1.318 . . . . 0.0 112.02 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -58.46 -33.25 69.53 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 119.893 1.224 . . . . 0.0 112.27 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -62.42 -31.68 72.41 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.76 1.624 . . . . 0.0 113.282 176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -77.19 -39.37 49.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.7 -0.667 . . . . 0.0 112.572 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.03 -42.66 90.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.872 1.215 . . . . 0.0 111.996 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.72 73.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.984 0.913 . . . . 0.0 113.209 174.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.69 78.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.38 -39.53 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-N 119.203 0.91 . . . . 0.0 110.658 177.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.74 -35.37 74.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.835 0.854 . . . . 0.0 111.108 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.38 -36.38 90.91 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.315 1.436 . . . . 0.0 114.586 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -65.37 -39.26 92.05 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.062 1.431 . . . . 0.0 111.049 173.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -73.2 -34.12 65.77 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.762 0.825 . . . . 0.0 112.878 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.54 -31.42 67.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.218 1.007 . . . . 0.0 112.882 174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.36 -54.28 13.17 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.469 1.108 . . . . 0.0 110.969 174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.05 -46.62 71.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.631 1.172 . . . . 0.0 113.267 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -60.13 -12.36 8.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.99 -41.09 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.148 1.379 . . . . 0.0 111.131 175.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.47 -26.93 67.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.025 1.33 . . . . 0.0 113.826 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.16 -12.78 54.73 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.979 1.712 . . . . 0.0 114.307 171.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -129.16 6.03 5.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.51 1.924 . . . . 0.0 113.398 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_