data_2rsq_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 2rsq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 122.073 0.94 . . . . 2.2000000000000002 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 3.04 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 2.3999999999999999 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 1.4399999999999999 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 2.73 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.9299999999999999 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 2.6600000000000001 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 1.6599999999999999 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 1.6299999999999999 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 4.0999999999999996 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 1.4399999999999999 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.7599999999999998 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.1200000000000001 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.3700000000000001 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 2.1400000000000001 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 2.0600000000000001 110.42 168.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.6600000000000001 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 1.4199999999999999 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 2.2000000000000002 110.296 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 5.0 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 2.9199999999999999 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 2.79 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 2.0299999999999998 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.77 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.83999999999999997 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 2.1000000000000001 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 1.76 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.55000000000000004 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 3.1699999999999999 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.7599999999999998 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 1.73 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.4100000000000001 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 3.4100000000000001 110.723 -168.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.95999999999999996 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 2.46 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.2400000000000002 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.0499999999999998 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 3.6699999999999999 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 1.99 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 1.97 108.68 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.8400000000000001 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 1.78 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.70999999999999996 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 1.4199999999999999 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 1.6200000000000001 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 1.74 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.62 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.91000000000000003 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.3300000000000001 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.4300000000000002 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 1.6000000000000001 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 2.5600000000000001 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 1.6799999999999999 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 1.8100000000000001 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 1.55 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.2799999999999998 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76000000000000001 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 1.8700000000000001 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.83999999999999997 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 3.0099999999999998 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.8700000000000001 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 1.3899999999999999 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 1.6299999999999999 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 2.0499999999999998 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' H ' HD13 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 2.6099999999999999 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.42999999999999999 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 2.3500000000000001 111.203 -178.235 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.479 0.181 . . . . 1.79 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 3.0600000000000001 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 3.0 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 1.5900000000000001 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 2.75 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 3.6299999999999999 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 1.8500000000000001 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 1.7 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 4.7699999999999996 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 1.6799999999999999 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 4.0300000000000002 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.4399999999999999 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.4399999999999999 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.95 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 1.8 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.0499999999999998 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 1.8700000000000001 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 2.02 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 3.8900000000000001 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.79 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 2.96 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 2.2000000000000002 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.72 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.1799999999999999 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 2.5899999999999999 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 2.96 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.89000000000000001 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 2.9199999999999999 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 2.1099999999999999 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.0899999999999999 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 2.6299999999999999 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.89000000000000001 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 2.1000000000000001 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 4.8399999999999999 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 1.8999999999999999 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 1.8700000000000001 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 1.8700000000000001 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 1.54 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.81000000000000005 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 1.6499999999999999 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 1.49 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 1.8300000000000001 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.97999999999999998 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.9399999999999999 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.0499999999999998 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.8099999999999996 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 1.5600000000000001 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 2.6499999999999999 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 1.71 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 2.1699999999999999 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 1.49 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.6600000000000001 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.69999999999999996 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 1.8 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 3.5 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.77 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 1.48 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 2.04 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 2.0899999999999999 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' H ' HD13 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 3.4700000000000002 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51000000000000001 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 2.0600000000000001 112.014 -178.309 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.171 0.804 . . . . 2.25 113.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 2.8900000000000001 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.96 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 2.04 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 2.6600000000000001 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.1099999999999999 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 2.8999999999999999 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 1.6399999999999999 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 1.95 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7000000000000002 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 1.6599999999999999 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 3.9100000000000001 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 3.0299999999999998 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.53 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.90000000000000002 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 1.8500000000000001 110.963 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.3799999999999999 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 1.77 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 1.6499999999999999 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 4.25 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 2.1200000000000001 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.97 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 2.02 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.8200000000000001 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.3300000000000001 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 2.4300000000000002 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 2.1899999999999999 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.79000000000000004 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 3.0699999999999998 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.8700000000000001 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.0099999999999998 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 2.21 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.7400000000000002 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 2.6299999999999999 111.732 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.93999999999999995 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 2.48 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.5999999999999996 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7000000000000002 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.9900000000000002 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.5900000000000001 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 2.2999999999999998 111.317 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 2.1200000000000001 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 1.6599999999999999 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 1.0600000000000001 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 1.5900000000000001 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 2.0699999999999998 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 1.8999999999999999 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.63 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 1.1799999999999999 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 3.0899999999999999 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.3900000000000001 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 1.6599999999999999 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.8199999999999998 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 1.98 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 2.0299999999999998 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 1.6000000000000001 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.0600000000000001 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.66000000000000003 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 1.8799999999999999 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.72999999999999998 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 4.0300000000000002 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.73 112.107 169.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.527 ' H ' ' NE2' ' A' ' 72' ' ' GLN . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 1.71 111.207 -175.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 1.8799999999999999 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 3.9100000000000001 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 4.1299999999999999 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' H ' HD22 ' A' ' 75' ' ' LEU . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.59999999999999998 112.619 167.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.9399999999999999 111.307 -174.442 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 111.262 0.097 . . . . 1.99 111.262 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 2.9500000000000002 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 2.4500000000000002 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 1.6100000000000001 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 2.79 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.3100000000000001 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 2.6499999999999999 112.412 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 1.45 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 2.0499999999999998 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 3.5600000000000001 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 1.6899999999999999 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 4.2300000000000004 115.998 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.23 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.75 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.5800000000000001 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67000000000000004 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 2.0800000000000001 109.464 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.1600000000000001 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 1.6100000000000001 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 1.75 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 5.96 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 2.0899999999999999 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.8600000000000001 111.452 158.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 1.71 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.7 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.83999999999999997 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 1.97 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 2.0299999999999998 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.63 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 2.9199999999999999 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.8799999999999999 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 1.98 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.9300000000000002 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 3.3199999999999998 110.731 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.87 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 2.7799999999999998 111.738 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 3.27 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.8899999999999999 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 1.77 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 2.2400000000000002 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 1.6200000000000001 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.75 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 1.4399999999999999 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 1.46 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 1.8 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.67000000000000004 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 2.0499999999999998 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 3.0099999999999998 112.417 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.6099999999999999 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 1.5800000000000001 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 2.4700000000000002 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 1.6299999999999999 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 1.6200000000000001 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 1.52 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.3700000000000001 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.58999999999999997 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 1.8 112.19 171.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.81999999999999995 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 3.8700000000000001 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.5299999999999998 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 1.98 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 1.8400000000000001 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 2.2799999999999998 112.645 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 3.23 113.363 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45000000000000001 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 2.6099999999999999 110.041 -174.401 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 1.8899999999999999 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.8900000000000001 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 3.3100000000000001 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 1.8400000000000001 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 3.9199999999999999 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 2.7200000000000002 112.029 -174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 1.5800000000000001 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 1.78 113.01 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 4.2400000000000002 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.6399999999999999 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 4.1900000000000004 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.1799999999999999 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.2400000000000002 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 1.78 110.257 165.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 1.3600000000000001 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 2.0699999999999998 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 4.3899999999999997 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.8400000000000001 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.73 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 1.8200000000000001 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.8799999999999999 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.3100000000000001 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 1.8799999999999999 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 2.1299999999999999 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.58999999999999997 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 3.3399999999999999 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.7599999999999998 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.2599999999999998 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 1.77 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.6400000000000001 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 3.0299999999999998 109.873 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.3700000000000001 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.9199999999999999 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.9199999999999999 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 3.3799999999999999 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.8899999999999999 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 3.3300000000000001 109.519 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 4.2599999999999998 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 1.6200000000000001 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.68000000000000005 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 1.7 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 1.8400000000000001 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 1.78 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.63 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.97999999999999998 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.9700000000000002 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.3799999999999999 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 1.74 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 2.8300000000000001 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 1.72 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 1.8 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 1.7 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.2200000000000002 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68000000000000005 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 1.97 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.59999999999999998 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.9500000000000002 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 3.5299999999999998 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 1.47 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 2.04 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 2.1899999999999999 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' H ' HD13 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 3.3599999999999999 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.58999999999999997 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 2.1299999999999999 109.856 168.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.849 0.315 . . . . 2.04 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 3.4700000000000002 112.78 -162.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 2.3799999999999999 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 1.47 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 2.7999999999999998 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 3.6000000000000001 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 1.4099999999999999 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 1.78 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 5.3300000000000001 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 1.8200000000000001 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 3.2999999999999998 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 2.23 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.5 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.0700000000000001 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 2.0499999999999998 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6000000000000001 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 2.0600000000000001 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 1.6399999999999999 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 3.5099999999999998 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 2.5299999999999998 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.77 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 2.1200000000000001 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.3900000000000001 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.94999999999999996 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 2.1899999999999999 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.98 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.59999999999999998 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 2.9500000000000002 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.2400000000000002 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 1.78 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.7799999999999998 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 3.1499999999999999 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.90000000000000002 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 2.8999999999999999 111.451 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.9399999999999999 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 4.6600000000000001 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 1.8899999999999999 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 1.76 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 1.97 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 1.5600000000000001 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 1.01 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 1.7 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 1.46 113.841 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 1.8500000000000001 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.56999999999999995 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 1.1899999999999999 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.5600000000000001 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 1.7 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 2.7599999999999998 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 1.73 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 1.99 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 1.8 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 1.9099999999999999 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65000000000000002 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 4.1100000000000003 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 6.1900000000000004 111.764 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 1.9299999999999999 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 1.6499999999999999 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 HD11 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 2.1699999999999999 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' H ' HD11 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 2.2999999999999998 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56000000000000005 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 2.2200000000000002 111.416 -172.706 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.737 0.303 . . . . 2.1400000000000001 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 2.8799999999999999 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 2.4900000000000002 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 1.9399999999999999 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 2.9900000000000002 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.0299999999999998 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 3.73 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 1.48 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.8200000000000001 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 4.0999999999999996 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 1.6399999999999999 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 4.54 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.3200000000000001 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 2.5600000000000001 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.6599999999999999 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 1.79 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.3199999999999998 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 1.72 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 1.8899999999999999 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 4.2699999999999996 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.8899999999999999 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 1.6299999999999999 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 1.74 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.2799999999999998 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78000000000000003 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 2.1099999999999999 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 2.0499999999999998 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.68000000000000005 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 3.3199999999999998 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.0600000000000001 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.1699999999999999 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 1.8300000000000001 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.7400000000000002 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 2.5800000000000001 111.949 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.22 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 2.3599999999999999 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.8199999999999998 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.1200000000000001 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 4.0099999999999998 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 1.8100000000000001 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 1.8500000000000001 111.488 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 2.1000000000000001 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 1.5800000000000001 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.84999999999999998 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 1.72 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 1.78 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 1.7 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.72999999999999998 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.26 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.6099999999999999 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 1.73 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 2.4900000000000002 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 1.6899999999999999 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 1.9099999999999999 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 1.8 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2000000000000002 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.72999999999999998 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 1.9099999999999999 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.76000000000000001 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 3.4500000000000002 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 3.71 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 1.48 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 1.9099999999999999 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 2.1899999999999999 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 2.96 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.408 ' H ' HD12 ' A' ' 75' ' ' LEU . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68000000000000005 111.061 170.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.9100000000000001 111.898 -179.114 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.262 0.553 . . . . 2.0899999999999999 111.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 2.7999999999999998 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 2.7000000000000002 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 1.8 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 2.73 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.7400000000000002 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 3.6699999999999999 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 1.97 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 2.0899999999999999 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.1099999999999999 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 1.9099999999999999 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 4.1699999999999999 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.1499999999999999 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 3.3300000000000001 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.75 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.84999999999999998 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 2.1499999999999999 109.82 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.3700000000000001 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 1.73 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 2.0800000000000001 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 4.0199999999999996 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 2.1000000000000001 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 2.1400000000000001 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 1.9299999999999999 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 2.25 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.95999999999999996 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 1.8899999999999999 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 2.0600000000000001 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.82999999999999996 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 3.3100000000000001 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.9700000000000002 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 1.8 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.7599999999999998 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 2.6200000000000001 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.91000000000000003 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 2.4500000000000002 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.9100000000000001 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.4500000000000002 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 3.1699999999999999 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 2.3300000000000001 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 2.0699999999999998 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 2.2400000000000002 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 1.53 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.87 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 1.4399999999999999 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 1.4399999999999999 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 1.6399999999999999 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.66000000000000003 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.94999999999999996 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.4500000000000002 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 1.8500000000000001 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 3.3700000000000001 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 1.75 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 2.25 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 1.8600000000000001 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.4399999999999999 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.71999999999999997 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 1.9099999999999999 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.68000000000000005 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 3.3599999999999999 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.9199999999999999 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 1.9199999999999999 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 2.1400000000000001 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 2.2400000000000002 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 2.48 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.41999999999999998 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 2.5499999999999998 109.298 170.047 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 112.771 0.656 . . . . 1.75 112.771 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 3.1200000000000001 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 2.6499999999999999 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 1.78 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 2.8700000000000001 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.0299999999999998 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 2.7400000000000002 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 1.8500000000000001 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 1.6299999999999999 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 3.6200000000000001 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 1.5600000000000001 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 3.6499999999999999 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 3.8399999999999999 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.48 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 1.73 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.6699999999999999 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 1.53 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 2.27 110.981 172.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.96 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 2.5099999999999998 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.9099999999999999 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 1.8999999999999999 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.6899999999999999 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 2.21 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 2.4700000000000002 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.90000000000000002 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 2.9500000000000002 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.8799999999999999 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.3399999999999999 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 2.5099999999999998 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.8100000000000001 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 3.2999999999999998 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.71 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 2.5800000000000001 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.9400000000000004 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.4399999999999999 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 4.7400000000000002 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 2.1800000000000002 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 1.8200000000000001 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 2.3900000000000001 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 1.54 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.62 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 1.6599999999999999 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 1.6699999999999999 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 1.6399999999999999 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.73999999999999999 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.95999999999999996 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.4299999999999997 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 1.8700000000000001 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 2.4300000000000002 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 1.8 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 1.6899999999999999 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 1.6599999999999999 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.2400000000000002 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.98999999999999999 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.96 112.382 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.29 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.9300000000000002 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.8199999999999998 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 1.5900000000000001 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 1.9299999999999999 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 77' ' ' GLY . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 2.1099999999999999 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 3.1699999999999999 114.763 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' H ' HD13 ' A' ' 75' ' ' LEU . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.47999999999999998 112.947 157.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.9099999999999999 109.348 178.322 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 121.23 0.538 . . . . 1.78 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 2.8399999999999999 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.8900000000000001 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 1.6000000000000001 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 3.8399999999999999 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1000000000000001 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 3.8399999999999999 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 1.47 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 1.8899999999999999 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.1399999999999997 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 1.5700000000000001 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 3.2400000000000002 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.1899999999999999 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.77 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.69999999999999996 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 1.6399999999999999 110.254 165.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.2400000000000002 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 1.6899999999999999 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 1.79 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.9500000000000002 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.95 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 1.6899999999999999 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 2.0600000000000001 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.52 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.1499999999999999 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 2.5600000000000001 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 2.5800000000000001 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.75 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 2.6200000000000001 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.6200000000000001 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 2.0800000000000001 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.7999999999999998 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 3.23 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 1.0600000000000001 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 2.4900000000000002 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.9199999999999999 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 3.23 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 2.2799999999999998 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 1.8100000000000001 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.9099999999999999 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 1.98 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 1.26 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 1.6399999999999999 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 1.8700000000000001 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 1.8999999999999999 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.59999999999999998 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 1.3700000000000001 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.8300000000000001 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.6299999999999999 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 1.6299999999999999 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.8600000000000001 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 1.75 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 1.76 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 1.6599999999999999 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.76000000000000001 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 3.5600000000000001 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79000000000000004 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 3.6099999999999999 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 4.25 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 1.47 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 1.97 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 2.27 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 2.3100000000000001 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.60999999999999999 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.98 111.181 174.17 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.234 1.016 . . . . 2.6099999999999999 112.845 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 3.5 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.9100000000000001 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 1.8700000000000001 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 2.5499999999999998 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 3.6899999999999999 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 1.47 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 1.6299999999999999 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.8100000000000001 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 1.8300000000000001 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 4.1200000000000001 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.6000000000000001 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.2599999999999998 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 2.5699999999999998 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 2.0699999999999998 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 1.4399999999999999 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.9500000000000002 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.9399999999999999 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.7 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 1.72 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.8200000000000001 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93000000000000005 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 1.79 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 2.1099999999999999 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.73999999999999999 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 2.7999999999999998 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.0600000000000001 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.3999999999999999 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 4.3799999999999999 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.7200000000000002 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 3.5499999999999998 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.45 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 2.77 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.3199999999999998 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.0800000000000001 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 3.1899999999999999 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 1.55 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 2.2400000000000002 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 2.25 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 1.5800000000000001 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.73999999999999999 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 1.54 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 1.9199999999999999 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 1.6899999999999999 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.72999999999999998 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 1.3100000000000001 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9399999999999999 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.8799999999999999 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 1.55 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 2.0099999999999998 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 1.8400000000000001 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 2.3799999999999999 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 1.5600000000000001 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.7799999999999998 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 1.73 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.78000000000000003 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 3.29 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 4.0300000000000002 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 1.5900000000000001 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 1.8100000000000001 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 2.1499999999999999 112.156 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 2.2999999999999998 112.476 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.46999999999999997 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.95 110.366 175.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.28 0.562 . . . . 2.1400000000000001 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 3.6800000000000002 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 3.3500000000000001 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 1.6299999999999999 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 2.6699999999999999 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.3999999999999999 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 2.77 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 1.6599999999999999 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 1.9299999999999999 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 3.4399999999999999 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 1.51 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 3.6800000000000002 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.6299999999999999 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 3.0699999999999998 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 1.9299999999999999 110.929 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.5800000000000001 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 1.5800000000000001 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 1.77 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 3.4900000000000002 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 2.2200000000000002 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 1.6399999999999999 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 1.9199999999999999 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 2.1099999999999999 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 2.5600000000000001 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 3.2000000000000002 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 1.0800000000000001 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 3.2799999999999998 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.2200000000000002 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.76 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.6299999999999999 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 3.0600000000000001 111.375 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.49 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 3.0899999999999999 112.458 174.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.0800000000000001 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 4.4000000000000004 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 2.23 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 1.8200000000000001 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.9399999999999999 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 1.5800000000000001 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.78000000000000003 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 1.74 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 1.9399999999999999 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 1.8400000000000001 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.66000000000000003 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.1299999999999999 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.4900000000000002 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 1.7 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 2.1600000000000001 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 2.1000000000000001 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 1.8799999999999999 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.9099999999999999 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 3.8700000000000001 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.3899999999999999 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 1.8100000000000001 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.96999999999999997 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 3.7599999999999998 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 3.5899999999999999 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 1.78 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 1.8300000000000001 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 2.27 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 2.1400000000000001 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.42999999999999999 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 2.1800000000000002 111.962 -179.525 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.314 0.487 . . . . 2.0499999999999998 112.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 4.2199999999999998 114.629 -163.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 4.2999999999999998 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 1.6100000000000001 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 3.8799999999999999 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.98 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 2.8199999999999998 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 1.78 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 1.8 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 4.0599999999999996 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 1.54 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 3.3500000000000001 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.0699999999999998 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.78 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.84999999999999998 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 1.8200000000000001 110.911 171.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.2400000000000002 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 1.73 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 1.8 110.324 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 3.7400000000000002 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 2.2999999999999998 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 3.6400000000000001 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 1.79 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.53 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.94999999999999996 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 2.1000000000000001 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 2.0899999999999999 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.58999999999999997 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 2.8700000000000001 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.6899999999999999 112.447 167.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.0499999999999998 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 1.99 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.2200000000000002 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 3.21 110.073 171.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.84999999999999998 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 2.6200000000000001 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.3399999999999999 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.5699999999999998 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 4.0099999999999998 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 1.6799999999999999 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 1.75 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 2.0 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 1.5800000000000001 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 1.0 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 1.6100000000000001 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 1.55 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 1.78 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.57999999999999996 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 1.1699999999999999 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.8500000000000001 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.3599999999999999 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 1.75 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 2.1499999999999999 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 1.5700000000000001 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 1.79 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 1.6799999999999999 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6000000000000001 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65000000000000002 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 1.8 113.631 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.69999999999999996 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 4.3200000000000003 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 3.7999999999999998 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 2.1699999999999999 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 2.2799999999999998 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 77' ' ' GLY . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 2.3300000000000001 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' H ' HD13 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 3.25 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 75' ' ' LEU . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.46999999999999997 112.423 158.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 2.1400000000000001 108.716 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.675 0.62 . . . . 2.25 112.675 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 4.0899999999999999 113.731 -168.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 2.4199999999999999 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 1.6000000000000001 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 2.5600000000000001 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 2.6899999999999999 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 1.71 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 1.8300000000000001 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 4.9000000000000004 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 1.6699999999999999 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 4.3300000000000001 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 1.21 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 2.5499999999999998 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.9399999999999999 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.98999999999999999 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 1.8300000000000001 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.4199999999999999 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 1.72 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 1.8500000000000001 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 4.0599999999999996 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 2.5099999999999998 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.9399999999999999 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 1.95 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.4700000000000002 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.3500000000000001 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 2.9199999999999999 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 2.3100000000000001 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.1599999999999999 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 2.8500000000000001 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.9700000000000002 113.236 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 1.7 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 2.6800000000000002 110.379 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.85999999999999999 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 2.3999999999999999 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.5499999999999998 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 3.04 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 2.1499999999999999 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 1.99 111.49 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 1.8600000000000001 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 1.54 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.75 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 1.4199999999999999 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 1.6699999999999999 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 1.8200000000000001 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.56000000000000005 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 1.1899999999999999 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.6600000000000001 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.2400000000000002 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 1.6899999999999999 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.8700000000000001 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 1.8300000000000001 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 1.78 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 1.78 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.8999999999999999 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.3300000000000001 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 1.9399999999999999 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.0700000000000001 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 4.1299999999999999 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.2999999999999998 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 1.79 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 1.8100000000000001 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD11 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 2.1499999999999999 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' H ' HD11 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 3.1400000000000001 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.42999999999999999 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 2.1499999999999999 111.378 -173.1 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 121.25 0.548 . . . . 2.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 4.3300000000000001 114.572 -162.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.8999999999999999 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.451 ' HG1' ' CE1' ' A' ' 54' ' ' HIS . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 1.75 109.655 160.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 4.1200000000000001 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.1099999999999999 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 2.8900000000000001 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 1.6299999999999999 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 1.99 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 3.52 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 2.04 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 3.8300000000000001 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.1000000000000001 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 2.3999999999999999 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.55 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.70999999999999996 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 1.8500000000000001 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 1.5 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 1.8899999999999999 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.8900000000000001 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 2.0800000000000001 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 1.71 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 1.8400000000000001 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.8899999999999999 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 1.1499999999999999 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 1.8200000000000001 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 2.1099999999999999 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.64000000000000001 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 2.54 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.7400000000000002 112.543 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 2.3300000000000001 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.1200000000000001 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 2.7200000000000002 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.46 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 2.4500000000000002 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.5199999999999996 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.3500000000000001 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 3.4300000000000002 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 1.8999999999999999 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 1.99 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 2.54 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 1.6200000000000001 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CE1' ' HG1' ' A' ' 13' ' ' THR . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.68000000000000005 109.59 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 1.53 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 1.8200000000000001 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 1.6200000000000001 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.56000000000000005 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 1.1899999999999999 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 3.3399999999999999 112.533 171.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.3799999999999999 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 1.73 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 2.6000000000000001 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 1.72 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 1.8799999999999999 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 1.74 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.1899999999999999 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.60999999999999999 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 1.6699999999999999 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.69999999999999996 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 3.2000000000000002 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.9100000000000001 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 1.7 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 1.8700000000000001 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' H ' ' A' ' 77' ' ' GLY . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 4.0300000000000002 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 2.7999999999999998 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.458 ' H ' HD21 ' A' ' 75' ' ' LEU . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.71999999999999997 111.768 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.48 111.458 -177.86 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 112.872 0.693 . . . . 2.0899999999999999 112.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 3.5 111.133 -166.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 2.7999999999999998 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 1.72 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 2.54 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 2.7999999999999998 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 1.48 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 1.6100000000000001 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.3900000000000001 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 1.76 110.334 168.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 3.3199999999999998 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 1.04 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 3.7799999999999998 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.48 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.73999999999999999 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 3.4300000000000002 112.975 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 1.8899999999999999 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 1.98 110.225 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 4.0 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 2.7000000000000002 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.72 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 2.2999999999999998 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.6100000000000001 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.1499999999999999 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 2.5099999999999998 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 2.8399999999999999 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 1.01 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 2.7200000000000002 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.1600000000000001 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 1.95 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.5600000000000001 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 3.4100000000000001 111.118 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.1499999999999999 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 3.1699999999999999 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.4700000000000002 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.1299999999999999 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 3.48 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 1.6899999999999999 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 2.02 109.547 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 1.8200000000000001 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 1.5700000000000001 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.92000000000000004 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 1.3999999999999999 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 1.46 114.511 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 2.0899999999999999 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.67000000000000004 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.98999999999999999 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.6600000000000001 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.3999999999999999 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 1.5900000000000001 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.95 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 1.8200000000000001 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 1.8200000000000001 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 1.54 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.8900000000000001 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55000000000000004 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 1.8 113.009 167.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64000000000000001 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 3.3199999999999998 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 4.0899999999999999 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 1.73 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 1.8500000000000001 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 3.9399999999999999 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 2.2799999999999998 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' HD23 ' A' ' 75' ' ' LEU . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.56000000000000005 110.434 176.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 2.1499999999999999 113.08 -167.595 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.845 0.355 . . . . 1.9399999999999999 110.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 3.0800000000000001 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 2.8999999999999999 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 1.6200000000000001 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 2.8199999999999998 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 2.7999999999999998 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 1.5800000000000001 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 1.6899999999999999 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 3.54 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 1.75 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 4.2199999999999998 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.2400000000000002 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.8700000000000001 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.73999999999999999 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG21 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 1.98 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.3900000000000001 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 1.45 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 1.77 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 3.3900000000000001 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 2.2599999999999998 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 1.6299999999999999 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 1.8999999999999999 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 2.0099999999999998 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.05 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 2.2200000000000002 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 1.96 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.58999999999999997 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 2.9300000000000002 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 1.71 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.3900000000000001 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 2.7400000000000002 110.877 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.93000000000000005 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 3.96 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.2799999999999998 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.3799999999999999 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 3.7200000000000002 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 1.6100000000000001 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 1.9299999999999999 110.916 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.8300000000000001 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 1.6000000000000001 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.66000000000000003 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 1.6100000000000001 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 1.6399999999999999 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 1.6200000000000001 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.80000000000000004 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.95999999999999996 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.8500000000000001 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.2999999999999998 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 1.9299999999999999 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 2.77 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 2.1200000000000001 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 2.6000000000000001 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 1.53 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.2599999999999998 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 1.73 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91000000000000003 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 3.1099999999999999 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 3.79 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 1.3999999999999999 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 1.6299999999999999 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 2.1800000000000002 113.65 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 2.5800000000000001 113.014 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52000000000000002 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 2.3500000000000001 108.979 172.755 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.851 0.358 . . . . 2.1699999999999999 111.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.98 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 2.7599999999999998 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 2.02 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 2.8700000000000001 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.7000000000000002 110.606 -172.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 2.7799999999999998 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 1.77 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 2.0600000000000001 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 5.2699999999999996 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 1.6000000000000001 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 4.3799999999999999 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.0899999999999999 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 2.21 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79000000000000004 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 2.1299999999999999 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.3700000000000001 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 1.3799999999999999 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 1.8500000000000001 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 3.4399999999999999 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.8600000000000001 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.73 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 1.72 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.3799999999999999 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.83999999999999997 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 2.1800000000000002 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 1.99 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.59999999999999998 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 2.9300000000000002 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.4300000000000002 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.1099999999999999 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 1.99 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.6699999999999999 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 3.6800000000000002 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.87 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 3.3199999999999998 111.682 171.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.9900000000000002 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 5.0599999999999996 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 1.8700000000000001 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 2.6600000000000001 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 2.3399999999999999 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 1.6499999999999999 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.87 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 1.6000000000000001 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 1.71 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 2.2200000000000002 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.59999999999999998 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 1.5700000000000001 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 3.4500000000000002 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4000000000000004 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 1.6499999999999999 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 2.6699999999999999 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 1.74 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 1.96 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 1.5900000000000001 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.6899999999999999 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.63 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 1.77 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 3.1400000000000001 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 5.6600000000000001 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 2.0800000000000001 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 2.0899999999999999 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 2.1200000000000001 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 2.8900000000000001 112.726 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64000000000000001 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.97 111.607 -168.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 115.271 1.582 . . . . 2.5499999999999998 115.271 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 2.8999999999999999 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.7599999999999998 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 1.8400000000000001 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 3.79 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.6899999999999999 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 3.98 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 1.51 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 1.79 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.8100000000000001 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 1.4299999999999999 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.6000000000000001 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.1400000000000001 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.8799999999999999 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81000000000000005 109.983 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 1.9099999999999999 111.296 172.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.7200000000000002 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 1.8600000000000001 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 2.1200000000000001 109.577 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 3.8700000000000001 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 2.54 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 2.4500000000000002 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 2.1299999999999999 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.5 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.80000000000000004 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 1.8899999999999999 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 1.9399999999999999 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.68999999999999995 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 2.7599999999999998 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.1899999999999999 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.9300000000000002 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 1.73 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.4399999999999999 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 3.6200000000000001 109.929 -165.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 1.04 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 3.4300000000000002 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.1299999999999999 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 3.46 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 2.0299999999999998 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 1.8700000000000001 107.777 172.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 4.0199999999999996 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 1.55 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.70999999999999996 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 1.5900000000000001 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 1.78 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 1.78 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 1.1100000000000001 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 3.3599999999999999 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 1.6200000000000001 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 2.4199999999999999 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 1.8999999999999999 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 2.04 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 1.6299999999999999 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.9900000000000002 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.69999999999999996 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 1.8899999999999999 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 4.4299999999999997 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 4.1500000000000004 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 1.4399999999999999 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 2.21 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD13 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 2.3100000000000001 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' H ' HD13 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 2.3399999999999999 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 2.5800000000000001 111.431 -174.294 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 116.82 2.156 . . . . 2.6800000000000002 116.82 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 4.2000000000000002 115.031 -162.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 4.3300000000000001 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 1.53 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 3.7200000000000002 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.3199999999999998 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 2.7599999999999998 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 1.8500000000000001 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 1.6599999999999999 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 6.0499999999999998 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.79 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 4.5199999999999996 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.0499999999999998 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.5499999999999998 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.1899999999999999 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 2.1499999999999999 108.952 169.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 1.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 2.04 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 3.6600000000000001 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 2.4399999999999999 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.8200000000000001 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 1.9399999999999999 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.71 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 1.05 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 2.23 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 1.8600000000000001 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.60999999999999999 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 3.0800000000000001 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.8500000000000001 114.769 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 1.77 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1000000000000001 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 3.4399999999999999 111.192 -162.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.95999999999999996 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 3.5099999999999998 111.478 169.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.0800000000000001 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.0299999999999998 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 3.6400000000000001 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 1.8100000000000001 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 1.8700000000000001 109.81 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 2.1200000000000001 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 1.6200000000000001 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.78000000000000003 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 1.8300000000000001 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 1.7 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 1.8100000000000001 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.56000000000000005 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 1.45 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 3.1899999999999999 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.5699999999999998 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 1.5900000000000001 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.8500000000000001 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 1.8300000000000001 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 2.0099999999999998 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 1.96 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.9399999999999999 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64000000000000001 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 1.8500000000000001 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 1.05 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 3.4700000000000002 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 3.3100000000000001 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 1.8200000000000001 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 2.02 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.425 HD11 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 2.29 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' H ' HD11 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 2.7999999999999998 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53000000000000003 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.99 109.793 167.423 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.851 0 N-CA-C 108.641 -1.783 . . . . 3.0899999999999999 108.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -115.11 155.13 27.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.435 1.118 . . . . 2.2000000000000002 112.136 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 3.04 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 2.3999999999999999 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 1.4399999999999999 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 2.73 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.9299999999999999 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 2.6600000000000001 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 1.6599999999999999 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 1.6299999999999999 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 4.0999999999999996 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 1.4399999999999999 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.7599999999999998 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.1200000000000001 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.3700000000000001 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 2.1400000000000001 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 2.0600000000000001 110.42 168.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.6600000000000001 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 1.4199999999999999 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 2.2000000000000002 110.296 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 5.0 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 2.9199999999999999 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 2.79 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 2.0299999999999998 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.77 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.83999999999999997 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 2.1000000000000001 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 1.76 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.55000000000000004 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 3.1699999999999999 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.7599999999999998 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 1.73 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.4100000000000001 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 3.4100000000000001 110.723 -168.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.95999999999999996 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 2.46 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.2400000000000002 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.0499999999999998 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 3.6699999999999999 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 1.99 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 1.97 108.68 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.8400000000000001 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 1.78 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.70999999999999996 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 1.4199999999999999 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 1.6200000000000001 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 1.74 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.62 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.91000000000000003 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.3300000000000001 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.4300000000000002 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 1.6000000000000001 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 2.5600000000000001 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 1.6799999999999999 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 1.8100000000000001 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 1.55 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.2799999999999998 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76000000000000001 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 1.8700000000000001 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.83999999999999997 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 3.0099999999999998 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.8700000000000001 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 1.3899999999999999 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 1.6299999999999999 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 HD13 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 2.0499999999999998 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' H ' HD13 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 2.6099999999999999 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.42999999999999999 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -110.44 148.47 31.99 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 2.3500000000000001 111.203 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 CA-C-O 122.163 0.868 . . . . 2.6299999999999999 114.416 -173.286 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.755 -0.538 . . . . 2.8599999999999999 111.755 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t -137.78 156.62 47.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.414 1.485 . . . . 1.79 111.25 170.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 3.0600000000000001 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 3.0 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 1.5900000000000001 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 2.75 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 3.6299999999999999 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 1.8500000000000001 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 1.7 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 4.7699999999999996 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 1.6799999999999999 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 4.0300000000000002 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.4399999999999999 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.4399999999999999 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.95 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 1.8 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.0499999999999998 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 1.8700000000000001 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 2.02 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 3.8900000000000001 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.79 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 2.96 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 2.2000000000000002 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.72 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.1799999999999999 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 2.5899999999999999 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 2.96 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.89000000000000001 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 2.9199999999999999 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 2.1099999999999999 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.0899999999999999 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 2.6299999999999999 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.89000000000000001 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 2.1000000000000001 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 4.8399999999999999 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 1.8999999999999999 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 1.8700000000000001 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 1.8700000000000001 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 1.54 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.81000000000000005 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 1.6499999999999999 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 1.49 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 1.8300000000000001 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.97999999999999998 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.9399999999999999 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.0499999999999998 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.8099999999999996 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 1.5600000000000001 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 2.6499999999999999 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 1.71 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 2.1699999999999999 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 1.49 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.6600000000000001 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.69999999999999996 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 1.8 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 3.5 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.77 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 1.48 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 2.04 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 2.0899999999999999 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' H ' HD13 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 3.4700000000000002 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51000000000000001 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.56 148.05 25.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 2.0600000000000001 112.014 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 C-N-CA 126.354 1.931 . . . . 2.25 115.164 -171.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 121.673 0.596 . . . . 2.8399999999999999 113.771 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -135.33 148.03 49.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.026 1.33 . . . . 2.25 113.171 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 2.8900000000000001 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.96 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 2.04 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 2.6600000000000001 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.1099999999999999 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 2.8999999999999999 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 1.6399999999999999 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 1.95 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7000000000000002 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 1.6599999999999999 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 3.9100000000000001 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 3.0299999999999998 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.53 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.90000000000000002 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 1.8500000000000001 110.963 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.3799999999999999 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 1.77 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 1.6499999999999999 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 4.25 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 2.1200000000000001 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.97 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 2.02 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.8200000000000001 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.3300000000000001 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 2.4300000000000002 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 2.1899999999999999 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.79000000000000004 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 3.0699999999999998 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.8700000000000001 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.0099999999999998 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 2.21 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.7400000000000002 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 2.6299999999999999 111.732 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.93999999999999995 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 2.48 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.5999999999999996 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7000000000000002 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.9900000000000002 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.5900000000000001 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 2.2999999999999998 111.317 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 2.1200000000000001 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 1.6599999999999999 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 1.0600000000000001 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 1.5900000000000001 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 2.0699999999999998 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 1.8999999999999999 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.63 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 1.1799999999999999 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 3.0899999999999999 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.3900000000000001 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 1.6599999999999999 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.8199999999999998 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 1.98 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 2.0299999999999998 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 1.6000000000000001 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.0600000000000001 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.66000000000000003 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 1.8799999999999999 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.72999999999999998 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 4.0300000000000002 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.73 112.107 169.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.527 ' H ' ' NE2' ' A' ' 72' ' ' GLN . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 1.71 111.207 -175.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 1.8799999999999999 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.456 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 3.9100000000000001 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 4.1299999999999999 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' H ' HD22 ' A' ' 75' ' ' LEU . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.59999999999999998 112.619 167.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -103.44 120.37 40.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.9399999999999999 111.307 -174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 C-N-CA 124.588 1.089 . . . . 2.52 114.254 -173.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 114.199 0.44 . . . . 3.0600000000000001 114.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -134.43 151.95 51.5 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.291 1.836 . . . . 1.99 111.262 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 2.9500000000000002 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 2.4500000000000002 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 1.6100000000000001 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 2.79 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.3100000000000001 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 2.6499999999999999 112.412 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 1.45 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 2.0499999999999998 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 3.5600000000000001 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 1.6899999999999999 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 4.2300000000000004 115.998 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.23 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.75 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.5800000000000001 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67000000000000004 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 2.0800000000000001 109.464 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.1600000000000001 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 1.6100000000000001 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 1.75 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 5.96 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 2.0899999999999999 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.8600000000000001 111.452 158.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 1.71 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.7 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.83999999999999997 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 1.97 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 2.0299999999999998 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.63 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 2.9199999999999999 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.8799999999999999 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 1.98 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.9300000000000002 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 3.3199999999999998 110.731 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.87 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 2.7799999999999998 111.738 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 3.27 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.8899999999999999 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 1.77 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 2.2400000000000002 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 1.6200000000000001 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.75 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 1.4399999999999999 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 1.46 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 1.8 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.67000000000000004 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 2.0499999999999998 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 3.0099999999999998 112.417 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.6099999999999999 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 1.5800000000000001 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 2.4700000000000002 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 1.6299999999999999 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 1.6200000000000001 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 1.52 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.3700000000000001 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.58999999999999997 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 1.8 112.19 171.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.81999999999999995 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 3.8700000000000001 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.5299999999999998 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 1.98 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 1.8400000000000001 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 2.2799999999999998 112.645 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 3.23 113.363 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45000000000000001 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -103.54 83.74 2.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 2.6099999999999999 110.041 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 N-CA-C 116.492 1.357 . . . . 3.5299999999999998 116.492 170.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 CA-C-O 121.243 0.357 . . . . 2.6800000000000002 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t -129.64 146.5 51.42 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.905 1.282 . . . . 1.8899999999999999 113.127 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.8900000000000001 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 3.3100000000000001 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 1.8400000000000001 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 3.9199999999999999 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 2.7200000000000002 112.029 -174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 1.5800000000000001 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 1.78 113.01 -169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 4.2400000000000002 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.6399999999999999 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 4.1900000000000004 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.1799999999999999 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.2400000000000002 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 1.78 110.257 165.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 1.3600000000000001 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 2.0699999999999998 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 4.3899999999999997 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.8400000000000001 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.73 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 1.8200000000000001 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.8799999999999999 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.3100000000000001 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 1.8799999999999999 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 2.1299999999999999 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.58999999999999997 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 3.3399999999999999 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.7599999999999998 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.2599999999999998 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 1.77 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.6400000000000001 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 3.0299999999999998 109.873 -170.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.3700000000000001 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.9199999999999999 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.9199999999999999 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 3.3799999999999999 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.8899999999999999 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 3.3300000000000001 109.519 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 4.2599999999999998 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 1.6200000000000001 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.68000000000000005 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 1.7 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 1.8400000000000001 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 1.78 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.63 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.97999999999999998 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.9700000000000002 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.3799999999999999 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 1.74 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 2.8300000000000001 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 1.72 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 1.8 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 1.7 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.2200000000000002 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68000000000000005 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 1.97 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.59999999999999998 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.9500000000000002 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 3.5299999999999998 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 1.47 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 2.04 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD13 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 2.1899999999999999 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' H ' HD13 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 3.3599999999999999 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.58999999999999997 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -84.35 156.73 21.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 2.1299999999999999 109.856 168.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 115.807 1.083 . . . . 2.4300000000000002 115.807 -170.538 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.15 0 CA-C-O 121.742 0.635 . . . . 2.7400000000000002 114.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -137.92 152.73 49.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.837 1.655 . . . . 2.04 111.849 -170.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 3.4700000000000002 112.78 -162.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 2.3799999999999999 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 1.47 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 2.7999999999999998 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 3.6000000000000001 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 1.4099999999999999 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 1.78 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 5.3300000000000001 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 1.8200000000000001 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 3.2999999999999998 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 2.23 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.5 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.0700000000000001 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 2.0499999999999998 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6000000000000001 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 2.0600000000000001 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 1.6399999999999999 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 3.5099999999999998 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 2.5299999999999998 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.77 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 2.1200000000000001 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.3900000000000001 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.94999999999999996 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 2.1899999999999999 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.98 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.59999999999999998 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 2.9500000000000002 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.2400000000000002 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 1.78 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.7799999999999998 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 3.1499999999999999 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.90000000000000002 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 2.8999999999999999 111.451 168.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.9399999999999999 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 4.6600000000000001 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 1.8899999999999999 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 1.76 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 1.97 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 1.5600000000000001 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 1.01 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 1.7 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 1.46 113.841 171.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 1.8500000000000001 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.56999999999999995 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 1.1899999999999999 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.5600000000000001 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 1.7 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 2.7599999999999998 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 1.73 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 1.99 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 1.8 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 1.9099999999999999 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65000000000000002 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 4.1100000000000003 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 6.1900000000000004 111.764 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 1.9299999999999999 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 1.6499999999999999 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 HD11 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 2.1699999999999999 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' H ' HD11 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 2.2999999999999998 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56000000000000005 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -111.0 150.39 29.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 2.2200000000000002 111.416 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 123.945 0.783 . . . . 2.96 112.352 167.048 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.842 0 CA-C-O 122.807 1.226 . . . . 2.25 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -137.93 152.5 49.04 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 126.484 1.914 . . . . 2.1400000000000001 111.189 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 2.8799999999999999 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 2.4900000000000002 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 1.9399999999999999 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 2.9900000000000002 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.0299999999999998 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 3.73 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 1.48 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.8200000000000001 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 4.0999999999999996 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 1.6399999999999999 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 4.54 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.3200000000000001 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 2.5600000000000001 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.6599999999999999 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 1.79 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.3199999999999998 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 1.72 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 1.8899999999999999 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 4.2699999999999996 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.8899999999999999 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 1.6299999999999999 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 1.74 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.2799999999999998 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78000000000000003 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 2.1099999999999999 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 2.0499999999999998 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.68000000000000005 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 3.3199999999999998 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.0600000000000001 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.1699999999999999 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 1.8300000000000001 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.7400000000000002 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 2.5800000000000001 111.949 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.22 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 2.3599999999999999 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.8199999999999998 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.1200000000000001 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 4.0099999999999998 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 1.8100000000000001 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 1.8500000000000001 111.488 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 2.1000000000000001 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 1.5800000000000001 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.84999999999999998 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 1.72 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 1.78 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 1.7 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.72999999999999998 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.26 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.6099999999999999 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 1.73 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 2.4900000000000002 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 1.6899999999999999 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 1.9099999999999999 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 1.8 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2000000000000002 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.72999999999999998 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 1.9099999999999999 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.76000000000000001 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 3.4500000000000002 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 3.71 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 1.48 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 1.9099999999999999 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 2.1899999999999999 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 2.96 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.408 ' H ' HD12 ' A' ' 75' ' ' LEU . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68000000000000005 111.061 170.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -91.3 128.54 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.9100000000000001 111.898 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 126.695 2.093 . . . . 2.3500000000000001 111.017 174.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.285 0 N-CA-C 110.496 -1.042 . . . . 2.8500000000000001 110.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t -136.57 152.91 51.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.762 2.025 . . . . 2.0899999999999999 111.933 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 2.7999999999999998 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 2.7000000000000002 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 1.8 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 2.73 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.7400000000000002 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 3.6699999999999999 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 1.97 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 2.0899999999999999 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.1099999999999999 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 1.9099999999999999 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 4.1699999999999999 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.1499999999999999 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 3.3300000000000001 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.75 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.84999999999999998 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 2.1499999999999999 109.82 174.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.3700000000000001 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 1.73 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 2.0800000000000001 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 4.0199999999999996 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 2.1000000000000001 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 2.1400000000000001 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 1.9299999999999999 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 2.25 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.95999999999999996 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 1.8899999999999999 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 2.0600000000000001 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.82999999999999996 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 3.3100000000000001 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.9700000000000002 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 1.8 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.7599999999999998 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 2.6200000000000001 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.91000000000000003 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 2.4500000000000002 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.9100000000000001 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.4500000000000002 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 3.1699999999999999 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 2.3300000000000001 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 2.0699999999999998 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 2.2400000000000002 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 1.53 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.87 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 1.4399999999999999 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 1.4399999999999999 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 1.6399999999999999 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.66000000000000003 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.94999999999999996 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.4500000000000002 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 1.8500000000000001 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 3.3700000000000001 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 1.75 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 2.25 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 1.8600000000000001 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.4399999999999999 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.71999999999999997 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 1.9099999999999999 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.68000000000000005 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 3.3599999999999999 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.9199999999999999 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 1.9199999999999999 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 2.1400000000000001 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 2.2400000000000002 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 2.48 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.41999999999999998 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -91.29 144.22 25.83 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 2.5499999999999998 109.298 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 116.666 1.426 . . . . 2.9399999999999999 116.666 -159.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-O 121.195 0.33 . . . . 2.5899999999999999 112.804 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -138.84 156.18 47.53 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.487 -1.008 . . . . 1.75 112.771 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 3.1200000000000001 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 2.6499999999999999 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 1.78 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 2.8700000000000001 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.0299999999999998 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 2.7400000000000002 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 1.8500000000000001 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 1.6299999999999999 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 3.6200000000000001 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 1.5600000000000001 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 3.6499999999999999 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 3.8399999999999999 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.48 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 1.73 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.6699999999999999 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 1.53 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 2.27 110.981 172.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.96 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 2.5099999999999998 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.9099999999999999 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 1.8999999999999999 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.6899999999999999 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 2.21 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 2.4700000000000002 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.90000000000000002 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 2.9500000000000002 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.8799999999999999 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.3399999999999999 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 2.5099999999999998 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.8100000000000001 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 3.2999999999999998 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.71 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 2.5800000000000001 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.9400000000000004 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.4399999999999999 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 4.7400000000000002 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 2.1800000000000002 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 1.8200000000000001 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 2.3900000000000001 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 1.54 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.62 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 1.6599999999999999 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 1.6699999999999999 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 1.6399999999999999 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.73999999999999999 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.95999999999999996 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.4299999999999997 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 1.8700000000000001 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 2.4300000000000002 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 1.8 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 1.6899999999999999 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 1.6599999999999999 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.2400000000000002 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.98999999999999999 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.96 112.382 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.29 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.9300000000000002 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.8199999999999998 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 1.5900000000000001 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 1.9299999999999999 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 77' ' ' GLY . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 2.1099999999999999 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 3.1699999999999999 114.763 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' H ' HD13 ' A' ' 75' ' ' LEU . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.47999999999999998 112.947 157.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -100.84 105.75 17.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.9099999999999999 109.348 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 C-N-CA 124.169 0.89 . . . . 4.0599999999999996 113.933 -170.367 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 109.468 -1.453 . . . . 3.2200000000000002 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t -132.79 146.57 51.95 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 126.234 1.813 . . . . 1.78 111.942 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 2.8399999999999999 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.8900000000000001 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 1.6000000000000001 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 3.8399999999999999 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1000000000000001 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 3.8399999999999999 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 1.47 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 1.8899999999999999 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.1399999999999997 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 1.5700000000000001 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 3.2400000000000002 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.1899999999999999 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.77 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.69999999999999996 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 1.6399999999999999 110.254 165.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.2400000000000002 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 1.6899999999999999 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 1.79 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.9500000000000002 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.95 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 1.6899999999999999 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 2.0600000000000001 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.52 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.1499999999999999 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 2.5600000000000001 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 2.5800000000000001 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.75 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 2.6200000000000001 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.6200000000000001 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 2.0800000000000001 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.7999999999999998 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 3.23 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 1.0600000000000001 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 2.4900000000000002 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.9199999999999999 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 3.23 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 2.2799999999999998 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 1.8100000000000001 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.9099999999999999 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 1.98 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 1.26 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 1.6399999999999999 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 1.8700000000000001 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 1.8999999999999999 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.59999999999999998 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 1.3700000000000001 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.8300000000000001 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.6299999999999999 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 1.6299999999999999 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.8600000000000001 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 1.75 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 1.76 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 1.6599999999999999 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.76000000000000001 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 3.5600000000000001 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79000000000000004 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 3.6099999999999999 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 4.25 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 1.47 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 1.97 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 2.27 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 2.3100000000000001 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.60999999999999999 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.24 156.18 19.77 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.98 111.181 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 C-N-CA 125.194 1.378 . . . . 2.4900000000000002 114.631 -178.513 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 122.309 0.949 . . . . 4.0300000000000002 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 158.92 18.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 127.476 2.311 . . . . 2.6099999999999999 112.845 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 3.5 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.9100000000000001 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 1.8700000000000001 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 2.5499999999999998 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 3.6899999999999999 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 1.47 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 1.6299999999999999 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.8100000000000001 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 1.8300000000000001 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 4.1200000000000001 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.6000000000000001 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.2599999999999998 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 2.5699999999999998 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 2.0699999999999998 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 1.4399999999999999 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.9500000000000002 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.9399999999999999 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.7 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 1.72 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.8200000000000001 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93000000000000005 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 1.79 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 2.1099999999999999 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.73999999999999999 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 2.7999999999999998 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.0600000000000001 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.3999999999999999 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 4.3799999999999999 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.7200000000000002 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 3.5499999999999998 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.45 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 2.77 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.3199999999999998 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.0800000000000001 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 3.1899999999999999 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 1.55 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 2.2400000000000002 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 2.25 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 1.5800000000000001 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.73999999999999999 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 1.54 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 1.9199999999999999 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 1.6899999999999999 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.72999999999999998 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 1.3100000000000001 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9399999999999999 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.8799999999999999 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 1.55 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 2.0099999999999998 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 1.8400000000000001 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 2.3799999999999999 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 1.5600000000000001 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.7799999999999998 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 1.73 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.78000000000000003 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 3.29 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 4.0300000000000002 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 1.5900000000000001 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 1.8100000000000001 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 2.1499999999999999 112.156 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 2.2999999999999998 112.476 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.46999999999999997 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -98.74 145.98 26.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.95 110.366 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 116.049 1.18 . . . . 2.3199999999999998 116.049 -166.104 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 112.54 -0.224 . . . . 4.0300000000000002 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t -124.96 157.69 35.45 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.124 1.769 . . . . 2.1400000000000001 110.804 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 3.6800000000000002 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 3.3500000000000001 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 1.6299999999999999 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 2.6699999999999999 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.3999999999999999 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 2.77 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 1.6599999999999999 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 1.9299999999999999 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 3.4399999999999999 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 1.51 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 3.6800000000000002 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.6299999999999999 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 3.0699999999999998 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 1.9299999999999999 110.929 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.5800000000000001 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 1.5800000000000001 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 1.77 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 3.4900000000000002 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 2.2200000000000002 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 1.6399999999999999 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 1.9199999999999999 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 2.1099999999999999 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 2.5600000000000001 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 3.2000000000000002 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 1.0800000000000001 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 3.2799999999999998 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.2200000000000002 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.76 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.6299999999999999 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 3.0600000000000001 111.375 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.49 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 3.0899999999999999 112.458 174.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.0800000000000001 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 4.4000000000000004 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 2.23 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 1.8200000000000001 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.9399999999999999 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 1.5800000000000001 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.78000000000000003 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 1.74 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 1.9399999999999999 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 1.8400000000000001 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.66000000000000003 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.1299999999999999 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.4900000000000002 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 1.7 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 2.1600000000000001 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 2.1000000000000001 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 1.8799999999999999 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.9099999999999999 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 3.8700000000000001 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.3899999999999999 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 1.8100000000000001 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.96999999999999997 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 3.7599999999999998 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 3.5899999999999999 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 1.78 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 1.8300000000000001 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 2.27 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 2.1400000000000001 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.42999999999999999 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.71 155.09 27.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 2.1800000000000002 111.962 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.37 0.986 . . . . 2.3999999999999999 113.924 175.82 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 114.561 0.584 . . . . 3.3999999999999999 114.561 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -145.81 153.06 40.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.051 1.741 . . . . 2.0499999999999998 112.314 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 4.2199999999999998 114.629 -163.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 4.2999999999999998 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 1.6100000000000001 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 3.8799999999999999 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.98 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 2.8199999999999998 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 1.78 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 1.8 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 4.0599999999999996 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 1.54 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 3.3500000000000001 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.0699999999999998 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.78 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.84999999999999998 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 1.8200000000000001 110.911 171.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.2400000000000002 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 1.73 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 1.8 110.324 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 3.7400000000000002 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 2.2999999999999998 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 3.6400000000000001 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 1.79 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.53 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.94999999999999996 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 2.1000000000000001 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 2.0899999999999999 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.58999999999999997 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 2.8700000000000001 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.6899999999999999 112.447 167.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.0499999999999998 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 1.99 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.2200000000000002 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 3.21 110.073 171.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.84999999999999998 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 2.6200000000000001 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.3399999999999999 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.5699999999999998 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 4.0099999999999998 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 1.6799999999999999 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 1.75 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 2.0 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 1.5800000000000001 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 1.0 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 1.6100000000000001 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 1.55 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 1.78 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.57999999999999996 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 1.1699999999999999 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.8500000000000001 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.3599999999999999 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 1.75 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 2.1499999999999999 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 1.5700000000000001 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 1.79 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 1.6799999999999999 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6000000000000001 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65000000000000002 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 1.8 113.631 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.69999999999999996 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 4.3200000000000003 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 3.7999999999999998 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 2.1699999999999999 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 2.2799999999999998 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 77' ' ' GLY . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 2.3300000000000001 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' H ' HD13 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 3.25 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.416 ' H ' HD13 ' A' ' 75' ' ' LEU . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.46999999999999997 112.423 158.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.6 126.43 31.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 2.1400000000000001 108.716 166.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 114.268 0.467 . . . . 2.2200000000000002 114.268 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 122.135 0.853 . . . . 2.5800000000000001 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -151.96 149.64 29.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.987 1.715 . . . . 2.25 112.675 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 4.0899999999999999 113.731 -168.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 2.4199999999999999 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 1.6000000000000001 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 2.5600000000000001 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 2.6899999999999999 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 1.71 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 1.8300000000000001 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 4.9000000000000004 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 1.6699999999999999 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 4.3300000000000001 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 1.21 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 2.5499999999999998 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.9399999999999999 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.98999999999999999 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 1.8300000000000001 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.4199999999999999 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 1.72 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 1.8500000000000001 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 4.0599999999999996 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 2.5099999999999998 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.9399999999999999 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 1.95 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.4700000000000002 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.3500000000000001 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 2.9199999999999999 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 2.3100000000000001 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.1599999999999999 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 2.8500000000000001 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.9700000000000002 113.236 167.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 1.7 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 2.6800000000000002 110.379 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.85999999999999999 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 2.3999999999999999 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.5499999999999998 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 3.04 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 2.1499999999999999 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 1.99 111.49 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 1.8600000000000001 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 1.54 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.75 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 1.4199999999999999 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 1.6699999999999999 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 1.8200000000000001 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.56000000000000005 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 1.1899999999999999 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.6600000000000001 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.2400000000000002 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 1.6899999999999999 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.8700000000000001 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 1.8300000000000001 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 1.78 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 1.78 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.8999999999999999 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.3300000000000001 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 1.9399999999999999 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.0700000000000001 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 4.1299999999999999 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.2999999999999998 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 1.79 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 1.8100000000000001 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD11 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 2.1499999999999999 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' H ' HD11 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 3.1400000000000001 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.42999999999999999 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -108.25 120.47 42.45 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 2.1499999999999999 111.378 -173.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 C-N-CA 125.232 1.396 . . . . 2.4500000000000002 113.278 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 CA-C-O 122.138 0.855 . . . . 2.3500000000000001 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -137.47 169.37 17.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.497 1.519 . . . . 2.0 111.018 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 4.3300000000000001 114.572 -162.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.8999999999999999 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.451 ' HG1' ' CE1' ' A' ' 54' ' ' HIS . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 1.75 109.655 160.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 4.1200000000000001 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.1099999999999999 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 2.8900000000000001 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 1.6299999999999999 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 1.99 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 3.52 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 2.04 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 3.8300000000000001 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.1000000000000001 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 2.3999999999999999 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.55 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.70999999999999996 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 1.8500000000000001 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 1.5 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 1.8899999999999999 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.8900000000000001 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 2.0800000000000001 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 1.71 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 1.8400000000000001 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.8899999999999999 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 1.1499999999999999 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 1.8200000000000001 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 2.1099999999999999 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.64000000000000001 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 2.54 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.7400000000000002 112.543 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 2.3300000000000001 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.1200000000000001 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 2.7200000000000002 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.46 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 2.4500000000000002 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.5199999999999996 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.3500000000000001 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 3.4300000000000002 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 1.8999999999999999 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 1.99 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 2.54 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 1.6200000000000001 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CE1' ' HG1' ' A' ' 13' ' ' THR . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.68000000000000005 109.59 173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 1.53 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 1.8200000000000001 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 1.6200000000000001 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.56000000000000005 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 1.1899999999999999 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 3.3399999999999999 112.533 171.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.3799999999999999 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 1.73 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 2.6000000000000001 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 1.72 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 1.8799999999999999 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 1.74 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.1899999999999999 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.60999999999999999 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 1.6699999999999999 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.69999999999999996 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 3.2000000000000002 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.9100000000000001 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 1.7 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 1.8700000000000001 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' H ' ' A' ' 77' ' ' GLY . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 4.0300000000000002 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 2.7999999999999998 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.458 ' H ' HD21 ' A' ' 75' ' ' LEU . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.71999999999999997 111.768 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt -92.41 144.22 25.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.48 111.458 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 124.818 1.199 . . . . 2.5099999999999998 114.969 -176.552 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 CA-C-O 121.355 0.419 . . . . 2.7599999999999998 112.735 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t -142.98 145.16 32.7 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.403 1.481 . . . . 2.0899999999999999 112.872 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 3.5 111.133 -166.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 2.7999999999999998 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 1.72 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 2.54 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 2.7999999999999998 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 1.48 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 1.6100000000000001 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.3900000000000001 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 1.76 110.334 168.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 3.3199999999999998 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 1.04 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 3.7799999999999998 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.48 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.73999999999999999 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 3.4300000000000002 112.975 174.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 1.8899999999999999 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 1.98 110.225 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 4.0 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 2.7000000000000002 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.72 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 2.2999999999999998 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.6100000000000001 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.1499999999999999 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 2.5099999999999998 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 2.8399999999999999 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 1.01 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 2.7200000000000002 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.1600000000000001 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 1.95 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.5600000000000001 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 3.4100000000000001 111.118 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.1499999999999999 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 3.1699999999999999 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.4700000000000002 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.1299999999999999 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 3.48 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 1.6899999999999999 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 2.02 109.547 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 1.8200000000000001 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 1.5700000000000001 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.92000000000000004 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 1.3999999999999999 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 1.46 114.511 174.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 2.0899999999999999 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.67000000000000004 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.98999999999999999 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.6600000000000001 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.3999999999999999 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 1.5900000000000001 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.95 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 1.8200000000000001 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 1.8200000000000001 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 1.54 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.8900000000000001 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55000000000000004 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 1.8 113.009 167.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64000000000000001 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 3.3199999999999998 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 4.0899999999999999 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 1.73 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 1.8500000000000001 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 3.9399999999999999 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 2.2799999999999998 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.402 ' H ' HD23 ' A' ' 75' ' ' LEU . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.56000000000000005 110.434 176.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -126.71 169.02 13.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 2.1499999999999999 113.08 -167.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 116.376 1.31 . . . . 3.3500000000000001 116.376 174.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 CA-C-O 122.001 0.778 . . . . 2.9300000000000002 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -113.34 161.35 17.36 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.344 1.858 . . . . 1.9399999999999999 110.475 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 3.0800000000000001 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 2.8999999999999999 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 1.6200000000000001 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 2.8199999999999998 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 2.7999999999999998 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 1.5800000000000001 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 1.6899999999999999 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 3.54 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 1.75 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 4.2199999999999998 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.2400000000000002 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.8700000000000001 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.73999999999999999 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG21 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 1.98 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.3900000000000001 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 1.45 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 1.77 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 3.3900000000000001 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 2.2599999999999998 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 1.6299999999999999 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 1.8999999999999999 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 2.0099999999999998 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.05 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 2.2200000000000002 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 1.96 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.58999999999999997 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 2.9300000000000002 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 1.71 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.3900000000000001 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 2.7400000000000002 110.877 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.93000000000000005 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 3.96 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.2799999999999998 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.3799999999999999 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 3.7200000000000002 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 1.6100000000000001 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 1.9299999999999999 110.916 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.8300000000000001 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 1.6000000000000001 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.66000000000000003 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 1.6100000000000001 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 1.6399999999999999 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 1.6200000000000001 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.80000000000000004 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.95999999999999996 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.8500000000000001 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.2999999999999998 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 1.9299999999999999 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 2.77 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 2.1200000000000001 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 2.6000000000000001 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 1.53 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.2599999999999998 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 1.73 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91000000000000003 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 3.1099999999999999 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 3.79 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 1.3999999999999999 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 1.6299999999999999 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 2.1800000000000002 113.65 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 2.5800000000000001 113.014 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52000000000000002 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -91.93 132.89 36.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 2.3500000000000001 108.979 172.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 O-C-N 121.852 -0.53 . . . . 3.7799999999999998 111.912 -165.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 N-CA-C 111.631 -0.588 . . . . 3.1899999999999999 111.631 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -134.88 156.44 48.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.25 1.42 . . . . 2.1699999999999999 111.909 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.98 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 2.7599999999999998 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 2.02 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 2.8700000000000001 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.7000000000000002 110.606 -172.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 2.7799999999999998 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 1.77 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 2.0600000000000001 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 5.2699999999999996 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 1.6000000000000001 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 4.3799999999999999 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.0899999999999999 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 2.21 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79000000000000004 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 2.1299999999999999 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.3700000000000001 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 1.3799999999999999 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 1.8500000000000001 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 3.4399999999999999 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.8600000000000001 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.73 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 1.72 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.3799999999999999 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.83999999999999997 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 2.1800000000000002 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 1.99 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.59999999999999998 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 2.9300000000000002 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.4300000000000002 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.1099999999999999 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 1.99 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.6699999999999999 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 3.6800000000000002 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.87 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 3.3199999999999998 111.682 171.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.9900000000000002 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 5.0599999999999996 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 1.8700000000000001 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 2.6600000000000001 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 2.3399999999999999 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 1.6499999999999999 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.87 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 1.6000000000000001 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 1.71 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 2.2200000000000002 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.59999999999999998 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 1.5700000000000001 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 3.4500000000000002 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4000000000000004 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 1.6499999999999999 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 2.6699999999999999 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 1.74 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 1.96 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 1.5900000000000001 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.6899999999999999 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.63 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 1.77 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 3.1400000000000001 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 5.6600000000000001 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 2.0800000000000001 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 2.0899999999999999 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 2.1200000000000001 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 2.8900000000000001 112.726 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64000000000000001 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -120.85 122.54 40.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.97 111.607 -168.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 125.666 1.603 . . . . 3.1099999999999999 115.225 171.398 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.498 -0.241 . . . . 3.5600000000000001 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t 52.98 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.504 3.121 . . . . 2.5499999999999998 115.271 -163.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 2.8999999999999999 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.7599999999999998 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 1.8400000000000001 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 3.79 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.6899999999999999 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 3.98 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 1.51 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 1.79 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.8100000000000001 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 1.4299999999999999 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.6000000000000001 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.1400000000000001 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.8799999999999999 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81000000000000005 109.983 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 1.9099999999999999 111.296 172.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.7200000000000002 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 1.8600000000000001 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 2.1200000000000001 109.577 174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 3.8700000000000001 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 2.54 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 2.4500000000000002 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 2.1299999999999999 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.5 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.80000000000000004 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 1.8899999999999999 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 1.9399999999999999 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.68999999999999995 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 2.7599999999999998 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.1899999999999999 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.9300000000000002 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 1.73 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.4399999999999999 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 3.6200000000000001 109.929 -165.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 1.04 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 3.4300000000000002 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.1299999999999999 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 3.46 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 2.0299999999999998 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 1.8700000000000001 107.777 172.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 4.0199999999999996 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 1.55 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.70999999999999996 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 1.5900000000000001 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 1.78 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 1.78 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 1.1100000000000001 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 3.3599999999999999 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 1.6200000000000001 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 2.4199999999999999 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 1.8999999999999999 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 2.04 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 1.6299999999999999 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.9900000000000002 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.69999999999999996 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 1.8899999999999999 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 4.4299999999999997 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 4.1500000000000004 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 1.4399999999999999 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 2.21 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD13 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 2.3100000000000001 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' H ' HD13 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 2.3399999999999999 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt -137.0 132.71 34.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 2.5800000000000001 111.431 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 124.157 0.884 . . . . 3.8300000000000001 113.325 -168.678 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 CA-C-O 119.353 -0.693 . . . . 3.46 113.377 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t 56.92 150.71 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 130.016 3.326 . . . . 2.6800000000000002 116.82 -177.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 4.2000000000000002 115.031 -162.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 4.3300000000000001 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 1.53 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 3.7200000000000002 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.3199999999999998 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 2.7599999999999998 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 1.8500000000000001 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 1.6599999999999999 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 6.0499999999999998 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.79 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 4.5199999999999996 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.0499999999999998 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.5499999999999998 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.1899999999999999 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 2.1499999999999999 108.952 169.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 1.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 2.04 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 3.6600000000000001 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 2.4399999999999999 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.8200000000000001 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 1.9399999999999999 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.71 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 1.05 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 2.23 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 1.8600000000000001 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.60999999999999999 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 3.0800000000000001 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.8500000000000001 114.769 -171.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 1.77 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1000000000000001 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 3.4399999999999999 111.192 -162.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.95999999999999996 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 3.5099999999999998 111.478 169.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.0800000000000001 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.0299999999999998 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 3.6400000000000001 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 1.8100000000000001 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 1.8700000000000001 109.81 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 2.1200000000000001 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 1.6200000000000001 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.78000000000000003 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 1.8300000000000001 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 1.7 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 1.8100000000000001 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.56000000000000005 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 1.45 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 3.1899999999999999 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.5699999999999998 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 1.5900000000000001 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.8500000000000001 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 1.8300000000000001 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 2.0099999999999998 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 1.96 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.9399999999999999 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64000000000000001 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 1.8500000000000001 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 1.05 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 3.4700000000000002 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 3.3100000000000001 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 1.8200000000000001 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 2.02 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.425 HD11 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 2.29 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' H ' HD11 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 2.7999999999999998 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53000000000000003 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -82.93 141.92 31.8 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.99 109.793 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.166 1.365 . . . . 2.21 115.54 -170.229 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 122.073 0.94 . . . . 0.98 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 2.08 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 1.67 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 0.54 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 1.7 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.93 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 1.53 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 0.42 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 0.67 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 3.89 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 0.88 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.09 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.12 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.09 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 1.2 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 0.88 110.42 168.087 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.66 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 0.45 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 0.86 110.296 172.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 3.77 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 1.73 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 1.42 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 0.75 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.41 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.84 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 0.92 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 0.86 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.51 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 1.86 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.76 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 0.84 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 51' ' ' VAL . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 2.18 110.723 -168.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.81 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 1.37 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.24 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.05 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 2.79 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 0.97 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.78 108.68 176.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.01 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 0.23 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.54 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 0.33 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 0.49 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 0.41 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.54 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.72 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.33 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.43 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 0.3 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 1.68 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 0.59 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 0.64 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 0.4 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.28 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 0.82 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.65 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 2.23 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.87 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 0.44 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 0.52 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD12 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 1.15 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 1.76 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.43 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 1.19 111.203 -178.235 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.479 0.181 . . . . 0.72 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 2.03 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 1.8 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 0.5 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 1.7 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 2.08 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 0.56 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 0.61 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 3.64 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 0.92 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 3.37 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.07 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.36 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.51 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 0.82 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.05 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 0.66 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 0.77 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 2.91 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.07 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 1.64 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 1.23 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.52 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.18 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 1.58 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 1.8 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.85 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 1.69 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 0.93 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.09 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 1.56 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.73 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 1.27 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 3.76 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 0.91 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 0.75 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 0.96 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 0.28 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.58 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 0.32 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 0.45 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 0.61 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.84 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.12 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.05 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.81 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 0.3 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 1.86 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 0.52 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 0.87 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 0.46 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.66 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.58 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 0.65 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 2.63 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.01 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 0.59 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 0.72 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 1.18 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 2.57 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 1.19 112.014 -178.309 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.171 0.804 . . . . 1.07 113.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 1.95 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.07 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 0.67 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 1.62 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.11 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 1.77 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 0.45 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 0.89 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 0.71 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 2.99 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 2.3 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.23 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.9 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 0.79 110.963 175.105 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.38 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 0.51 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 0.57 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 3.28 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 1.27 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.4 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 0.84 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.62 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.33 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 1.41 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 1.04 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.63 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 1.85 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.87 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.01 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 0.91 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.74 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 51' ' ' VAL . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 1.59 111.732 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.79 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 1.42 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.6 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.31 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.0 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 44' ' ' VAL . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 0.94 111.317 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 1.04 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 0.36 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 0.82 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 0.53 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 0.67 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 0.64 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.53 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 0.99 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 2.3 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.39 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 0.36 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.13 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 0.76 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 0.74 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 0.38 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.06 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.55 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 0.73 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.73 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 3.12 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.24 112.107 169.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 0.46 111.207 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 0.86 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 2.58 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 2.79 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.6 112.619 167.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.22 111.307 -174.442 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 111.262 0.097 . . . . 0.88 111.262 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 1.99 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 1.67 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 0.43 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 1.75 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.31 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 1.52 112.412 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 0.41 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 0.87 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 2.96 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.9 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' HD21 ' A' ' 46' ' ' LEU . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 3.8 115.998 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.19 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.0 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.16 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG12 HG11 ' A' ' 44' ' ' VAL . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 0.86 109.464 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.16 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 0.54 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 0.62 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 4.85 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 1.19 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' HG22 ' A' ' 69' ' ' THR . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.26 111.452 158.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 0.63 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.69 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.84 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 0.91 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 1.02 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.61 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 1.68 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.88 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 0.81 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.93 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 HG12 ' A' ' 26' ' ' VAL . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 2.03 110.731 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.74 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 26' ' ' VAL . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 1.59 111.738 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 2.56 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.85 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 0.65 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 1.12 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 0.33 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.58 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 0.32 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 0.63 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 0.51 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.57 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 0.81 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 2.39 112.417 170.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.61 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 0.37 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 1.64 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 0.5 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 0.7 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 0.41 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.37 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.59 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 32' ' ' SER . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 0.7 112.19 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.82 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 2.85 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.34 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 0.61 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 0.56 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 1.15 112.645 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' H ' HD12 ' A' ' 75' ' ' LEU . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 1.96 113.363 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 1.93 110.041 -174.401 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.88 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.03 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 2.43 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 0.62 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 2.6 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' HB2' HG23 ' A' ' 51' ' ' VAL . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 1.58 112.029 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 0.46 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 HG21 ' A' ' 51' ' ' VAL . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 0.63 113.01 -169.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 3.26 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.09 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 3.41 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.01 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.24 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 0.67 110.257 165.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 0.53 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 0.74 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 3.29 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.07 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.29 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 0.7 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.48 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.31 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 0.87 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 1.01 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.51 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 2.07 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.76 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.26 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 0.8 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.64 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 51' ' ' VAL . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 1.88 109.873 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.15 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.03 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.92 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 2.58 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.05 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 2.03 109.519 177.358 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 2.68 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 0.37 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.5 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 0.38 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 0.7 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 0.47 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.5 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.73 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.97 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.38 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 0.32 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 1.94 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 0.49 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 0.59 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 0.44 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.22 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 0.77 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.6 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.06 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 2.92 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 0.6 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 0.73 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 1.09 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.608 ' H ' HD12 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 2.39 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.55 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 1.32 109.856 168.437 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.849 0.315 . . . . 0.94 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 2.26 112.78 -162.358 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 1.81 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 0.54 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 1.72 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 2.05 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 0.36 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 0.93 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 4.77 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 0.65 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 2.66 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 1.9 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.23 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.07 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 0.82 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 0.61 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 0.81 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 2.68 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 1.39 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.05 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 0.8 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.05 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.95 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 0.99 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.01 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.56 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 1.71 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.24 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 0.95 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.78 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 2.02 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.74 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 1.87 111.451 168.501 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.94 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 3.41 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 0.9 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 0.65 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 0.94 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 0.23 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 0.76 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 0.43 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 HD12 ' A' ' 11' ' ' LEU . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 0.57 113.841 171.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 0.61 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.49 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 0.66 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.56 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 0.44 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 1.87 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 0.46 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 0.7 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 0.47 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 0.69 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 3.05 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 4.83 111.764 175.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 0.56 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 0.53 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 1.18 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 1.5 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 1.34 111.416 -172.706 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.737 0.303 . . . . 1.04 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 1.98 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 1.68 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 0.81 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 1.9 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.03 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 2.15 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 0.36 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.04 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 3.16 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 0.88 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 3.6 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.1 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 1.91 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.11 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 0.81 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.32 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 0.4 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 0.76 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 3.3 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.05 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 0.95 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 0.61 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.28 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 0.92 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 0.97 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.55 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 1.97 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.06 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.17 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 0.85 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.74 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 51' ' ' VAL . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 1.52 111.949 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.03 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 1.3 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.82 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.12 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 3.73 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 0.87 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 44' ' ' VAL . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 0.7 111.488 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 0.96 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 0.38 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.64 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 0.32 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 0.57 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 0.54 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.62 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.22 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.61 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 0.41 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 1.73 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 0.54 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 0.65 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 0.4 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.73 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 0.9 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.65 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 2.68 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 2.98 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 0.6 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 0.61 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 1.13 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 1.84 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68 111.061 170.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.33 111.898 -179.114 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.262 0.553 . . . . 0.83 111.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 1.9 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 1.94 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 0.56 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 1.66 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.74 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 2.11 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 0.54 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 1.05 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.09 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 0.69 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 3.53 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.15 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 2.8 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.2 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.85 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 0.94 109.82 174.55 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.37 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 0.52 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 0.76 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 3.05 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 1.07 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 1.09 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 0.62 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 1.76 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.96 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 0.84 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 1.13 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.7 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 2.12 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.97 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 0.83 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.76 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 1.52 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.76 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 1.36 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.91 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.45 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 2.35 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 1.56 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 0.86 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 1.19 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 0.25 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.64 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 0.3 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 0.42 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 0.6 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.51 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.65 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.45 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 0.45 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 2.17 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 0.63 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 0.93 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 0.45 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.44 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.72 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 0.77 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.66 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 2.51 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.22 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 0.58 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 0.89 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 1.17 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.531 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 1.56 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.42 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 1.45 109.298 170.047 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 112.771 0.656 . . . . 0.86 112.771 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 2.12 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 1.86 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 0.66 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 1.85 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.03 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 1.6 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 0.45 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 0.62 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 2.99 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 0.59 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 2.96 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 2.59 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.19 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 0.76 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.67 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 0.64 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 69' ' ' THR . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 0.87 110.981 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.04 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 1.73 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.48 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 0.83 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.69 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 1.01 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 1.45 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.87 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 1.64 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.88 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.34 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 1.14 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.81 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 2.11 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.39 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 1.54 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.94 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.44 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 3.5 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 1.77 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 0.65 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 1.15 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 0.27 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.47 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 0.37 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 0.45 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 0.47 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.64 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.92 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.05 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 0.36 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 1.87 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 0.55 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 0.73 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 0.42 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.24 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.99 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 29' ' ' VAL . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.18 112.382 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.18 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.24 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.48 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 0.82 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 0.74 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 76' ' ' LYS . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 1.18 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 2.26 114.763 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.48 112.947 157.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.57 109.348 178.322 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 121.23 0.538 . . . . 0.85 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 1.91 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.0 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 0.73 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 2.51 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 2.28 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 0.58 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 0.58 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.14 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.68 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 2.83 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.19 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.15 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.7 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 0.69 110.254 165.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.24 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 0.64 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 0.63 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.1 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.06 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 0.97 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 0.72 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.45 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.15 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 1.3 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 1.33 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.67 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 1.45 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.62 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 0.9 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.8 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 1.99 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 0.9 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 1.46 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.92 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 2.49 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 1.82 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 0.65 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.04 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 0.37 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 0.97 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 0.31 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 0.56 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 0.5 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.51 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 0.85 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.83 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.63 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 0.36 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.79 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 0.59 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 0.7 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 0.46 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.61 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 2.15 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 2.79 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 3.66 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 0.67 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 0.73 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 1.12 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.582 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 1.56 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.61 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.26 111.181 174.17 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.234 1.016 . . . . 1.55 112.845 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 2.37 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.15 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 0.47 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 1.62 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 2.13 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 0.5 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 0.66 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.56 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 0.7 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 3.43 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.49 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.26 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 1.65 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 0.82 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 0.4 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 0.6 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.03 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.09 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.05 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 0.55 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.57 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 0.85 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 0.97 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.63 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 1.59 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.06 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.4 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 3.02 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.72 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 2.3 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.15 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 1.55 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.32 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.08 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 2.41 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 0.95 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 0.95 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 1.06 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 0.31 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.6 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 0.36 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 0.6 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 0.56 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.6 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 0.73 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.88 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 0.42 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 1.4 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 0.69 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 1.06 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 0.51 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.78 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 0.74 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.68 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 2.46 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 3.06 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 0.6 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 0.51 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 1.14 112.156 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 1.4 112.476 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.42 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.12 110.366 175.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.28 0.562 . . . . 0.94 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 2.41 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 2.64 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.51 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 1.68 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.4 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 1.63 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 0.67 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 0.56 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 2.84 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 0.66 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 2.81 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.63 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 2.92 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG12 HG11 ' A' ' 44' ' ' VAL . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 0.91 110.929 -177.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.58 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 0.54 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 0.6 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 2.7 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 1.2 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 0.96 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 0.66 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 1.68 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 1.35 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 2.22 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 0.96 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 1.96 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.22 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.03 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.63 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 HG12 ' A' ' 26' ' ' VAL . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 1.95 111.375 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.21 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 2.11 112.458 174.503 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.08 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 3.31 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 1.29 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 0.69 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.04 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 0.47 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.59 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 0.39 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 0.91 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 0.54 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.61 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.0 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.47 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 0.37 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 1.57 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 1.04 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 0.84 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.15 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 2.29 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.06 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 0.73 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.97 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 2.83 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 2.79 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 0.5 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 0.55 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 1.23 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 1.35 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.43 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 1.33 111.962 -179.525 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.314 0.487 . . . . 0.84 112.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 40' ' ' GLN . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 2.99 114.629 -163.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 2.57 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 2.59 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.15 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 1.68 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 0.46 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 0.6 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 3.29 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 0.73 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 2.66 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.07 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.16 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.85 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 44' ' ' VAL . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 0.75 110.911 171.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.24 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 0.48 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG13 HG21 ' A' ' 69' ' ' THR . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 0.58 110.324 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 2.9 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 1.46 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 2.4 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 0.55 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.38 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.95 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 0.91 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 0.96 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.56 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 1.54 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 11' ' ' LEU . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.09 112.447 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.05 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 0.84 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.22 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 26' ' ' VAL . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 1.96 110.073 171.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.72 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 1.44 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.34 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.57 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 2.84 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 0.95 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 0.63 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 0.91 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 0.37 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 0.74 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 0.31 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 0.45 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 0.53 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.48 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 0.76 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.46 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.36 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 0.43 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 1.53 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 0.53 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 0.76 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 0.47 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.443 HG21 HG13 ' A' ' 29' ' ' VAL . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 0.8 113.631 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.7 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 3.24 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 2.75 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 0.83 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 0.99 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 1.09 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.626 ' H ' HD12 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 2.24 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.47 112.423 158.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 1.31 108.716 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.675 0.62 . . . . 1.04 112.675 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 HD11 ' HG3' ' A' ' 40' ' ' GLN . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 3.03 113.731 -168.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 1.83 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 0.45 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 1.56 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 1.55 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 0.37 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 0.56 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 3.79 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 0.88 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 3.44 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 0.95 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 1.86 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.31 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.99 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 0.68 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.42 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 0.51 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 0.66 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 3.13 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 1.37 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.38 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 0.78 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.47 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.11 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 1.9 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 1.22 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.0 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 1.77 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 11' ' ' LEU . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.97 113.236 167.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 0.86 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.676 HG22 HG13 ' A' ' 51' ' ' VAL . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 1.57 110.379 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.72 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 1.37 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.55 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 2.35 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 1.13 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.676 HG13 HG22 ' A' ' 44' ' ' VAL . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 0.71 111.49 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 0.97 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.25 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.58 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 0.38 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 0.62 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 0.53 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.49 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 0.73 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.66 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.24 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 0.37 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.23 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 0.75 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 0.64 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 0.43 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.9 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.33 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 0.87 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.05 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 3.17 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.3 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 0.46 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 0.61 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 1.14 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.597 ' H ' HD12 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 1.92 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.43 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 1.27 111.378 -173.1 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 121.25 0.548 . . . . 0.91 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 3.06 114.572 -162.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.02 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 0.74 109.655 160.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 2.87 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.11 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 1.71 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 0.54 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 0.62 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 2.8 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 0.8 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 2.99 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.07 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 1.77 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.25 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.71 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 0.8 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 0.43 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 0.64 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.06 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 1.1 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 0.96 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 0.65 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.88 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 0.96 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 0.83 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 1.04 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.6 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 1.43 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.74 112.543 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 1.12 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.12 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 1.63 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.27 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 1.43 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.52 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.35 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 2.62 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 0.91 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 0.8 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 1.47 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 0.35 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.52 109.59 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 0.42 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 0.65 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 0.39 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.47 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 0.8 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 2.51 112.533 171.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.38 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 0.42 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 1.61 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 0.68 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 0.93 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 0.49 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.19 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.61 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 0.68 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.7 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 2.4 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.01 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 0.62 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 0.68 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 2.68 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 1.78 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.61 111.768 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.13 111.458 -177.86 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 112.872 0.693 . . . . 0.88 112.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 2.4 111.133 -166.621 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 1.94 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 0.58 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 1.52 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 1.66 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 0.5 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 0.56 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.39 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE3' HG22 ' A' ' 26' ' ' VAL . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 0.83 110.334 168.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 2.77 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 0.94 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 2.33 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.26 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.74 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' HE3' ' A' ' 20' ' ' MET . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 2.27 112.975 174.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 0.91 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 HG21 ' A' ' 69' ' ' THR . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 0.84 110.225 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 3.04 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 1.51 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.2 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 0.88 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.49 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.15 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 1.29 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 1.69 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 0.96 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 1.5 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.16 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 0.83 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.56 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 51' ' ' VAL . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 2.11 111.118 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.0 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 2.12 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.47 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.13 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 2.66 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 0.93 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.611 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 0.82 109.547 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 0.93 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 0.23 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.65 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 0.35 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 11' ' ' LEU . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 0.48 114.511 174.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 0.72 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.58 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.72 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.66 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.4 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 0.37 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.38 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 0.54 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 0.67 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 0.41 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.89 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 HG13 ' A' ' 29' ' ' VAL . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 0.66 113.009 167.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 2.47 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 2.99 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 0.52 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 0.66 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 2.64 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 1.43 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.48 110.434 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 1.7 113.08 -167.595 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.845 0.355 . . . . 1.04 110.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 2.08 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 1.64 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 0.45 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 1.72 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 1.67 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 0.4 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 0.56 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 2.84 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 0.93 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 3.29 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.19 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.3 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.74 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 0.86 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.39 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 0.53 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 0.63 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 2.58 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 1.29 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 0.93 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 0.58 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 1.57 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.02 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 1.27 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 0.95 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.56 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 1.67 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 0.89 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.39 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 51' ' ' VAL . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 1.56 110.877 172.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.76 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 2.69 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.28 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.38 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 2.61 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 0.99 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 44' ' ' VAL . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 0.74 110.916 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.0 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 0.33 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.51 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 0.33 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 0.5 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 0.4 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.68 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.86 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.7 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.3 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 0.48 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 1.74 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 0.85 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 1.14 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 0.38 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.26 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 0.77 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 2.36 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 2.92 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 0.67 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 0.54 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 1.2 113.65 177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 1.55 113.014 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 1.51 108.979 172.755 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.851 0.358 . . . . 1.12 111.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.05 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 1.91 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 0.7 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 1.79 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.23 110.606 -172.641 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 1.64 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 0.37 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 1.46 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 4.23 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 0.89 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 3.72 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.09 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 1.64 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 0.95 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.37 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 0.42 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 0.55 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 2.57 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.05 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.06 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 0.62 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.38 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.84 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 0.95 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 0.97 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.52 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 1.7 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.43 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.11 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 0.8 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.67 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 2.42 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.77 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 2.31 111.682 171.017 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.99 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 3.88 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 0.9 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 1.26 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 1.22 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 0.39 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.69 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 0.84 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 1.09 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.5 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 0.84 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 2.73 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 0.41 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 1.91 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 0.53 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 0.79 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 0.51 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.69 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.58 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 0.81 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 2.38 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 4.35 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 0.75 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 0.79 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 1.23 112.439 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 75' ' ' LEU . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 1.67 112.726 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.55 111.607 -168.042 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 115.271 1.582 . . . . 1.21 115.271 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 1.99 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.0 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 0.94 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 2.48 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.69 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 2.41 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 0.39 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 0.62 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.09 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 0.67 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.12 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.14 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.19 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81 109.983 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 0.74 111.296 172.675 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.72 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 0.61 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 0.88 109.577 174.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 2.94 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 1.42 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 1.19 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.74 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.41 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.8 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 0.84 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 0.92 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.62 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 1.54 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.19 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.93 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 0.85 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.44 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 51' ' ' VAL . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 2.32 109.929 -165.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 0.83 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 2.25 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.13 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 2.74 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 1.2 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 0.74 107.777 172.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 2.43 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 0.23 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.56 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 0.31 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 0.45 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 0.59 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 0.9 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 2.66 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 0.51 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 1.61 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 0.67 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 0.83 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 0.39 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.99 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.7 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 0.72 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 3.35 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 3.07 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 0.49 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 0.9 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 1.18 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 1.52 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' HD11 ' A' ' 75' ' ' LEU . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 1.75 111.431 -174.294 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 116.82 2.156 . . . . 1.06 116.82 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 2.99 115.031 -162.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 3.69 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 0.67 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 2.42 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.32 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 1.63 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 0.37 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 0.64 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 5.04 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.04 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 3.73 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.05 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.55 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.19 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 0.98 108.952 169.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 0.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 0.97 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 2.86 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 1.42 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.13 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 0.97 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.06 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 0.76 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 1.03 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 0.89 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.54 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 1.99 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' HD11 ' A' ' 11' ' ' LEU . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.37 114.769 -171.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 0.85 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 51' ' ' VAL . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 2.26 111.192 -162.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.8 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 2.3 111.478 169.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.08 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.03 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 2.82 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 0.87 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 44' ' ' VAL . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 0.73 109.81 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 0.95 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 0.28 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.56 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 0.65 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 0.68 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 0.59 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.52 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 0.65 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 2.56 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.57 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 0.4 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.27 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 0.55 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.7 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 0.47 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.94 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 0.95 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 0.9 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 2.62 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 2.86 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 0.65 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 0.75 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 1.16 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 1.6 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.22 109.793 167.423 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.851 0 N-CA-C 108.641 -1.783 . . . . 1.82 108.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -115.11 155.13 27.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.435 1.118 . . . . 0.98 112.136 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 2.08 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 1.67 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 0.54 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 1.7 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.93 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 1.53 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 0.42 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 0.67 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 3.89 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 0.88 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.09 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.12 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.09 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 1.2 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 0.88 110.42 168.087 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.66 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 0.45 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 0.86 110.296 172.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 3.77 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 1.73 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 1.42 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 0.75 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.41 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.84 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 0.92 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 0.86 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.51 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 1.86 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.76 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 0.84 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 51' ' ' VAL . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 2.18 110.723 -168.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.81 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 1.37 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.24 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.05 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 2.79 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 0.97 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.78 108.68 176.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.01 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 0.23 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.54 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 0.33 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 0.49 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 0.41 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.54 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.72 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.33 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.43 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 0.3 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 1.68 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 0.59 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 0.64 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 0.4 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.28 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 0.82 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.65 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 2.23 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.87 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 0.44 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 0.52 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD12 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 1.15 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 1.76 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.43 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -110.44 148.47 31.99 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 1.19 111.203 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 CA-C-O 122.163 0.868 . . . . 2.63 114.416 -173.286 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.755 -0.538 . . . . 1.63 111.755 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t -137.78 156.62 47.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.414 1.485 . . . . 0.72 111.25 170.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 2.03 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 1.8 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 0.5 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 1.7 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 2.08 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 0.56 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 0.61 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 3.64 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 0.92 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 3.37 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.07 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.36 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.51 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 0.82 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.05 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 0.66 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 0.77 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 2.91 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.07 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 1.64 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 1.23 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.52 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.18 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 1.58 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 1.8 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.85 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 1.69 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 0.93 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.09 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 1.56 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.73 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 1.27 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 3.76 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 0.91 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 0.75 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 0.96 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 0.28 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.58 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 0.32 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 0.45 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 0.61 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.84 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.12 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.05 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.81 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 0.3 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 1.86 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 0.52 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 0.87 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 0.46 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.66 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.58 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 0.65 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 2.63 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.01 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 0.59 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 0.72 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 1.18 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 2.57 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.56 148.05 25.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 1.19 112.014 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 C-N-CA 126.354 1.931 . . . . 2.25 115.164 -171.889 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 121.673 0.596 . . . . 1.98 113.771 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -135.33 148.03 49.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.026 1.33 . . . . 1.07 113.171 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 1.95 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.07 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 0.67 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 1.62 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.11 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 1.77 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 0.45 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 0.89 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 0.71 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 2.99 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 2.3 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.23 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.9 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 0.79 110.963 175.105 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.38 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 0.51 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 0.57 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 3.28 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 1.27 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.4 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 0.84 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.62 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.33 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 1.41 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 1.04 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.63 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 1.85 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.87 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.01 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 0.91 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.74 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 51' ' ' VAL . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 1.59 111.732 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.79 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 1.42 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.6 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.31 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.0 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 44' ' ' VAL . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 0.94 111.317 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 1.04 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 0.36 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 0.82 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 0.53 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 0.67 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 0.64 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.53 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 0.99 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 2.3 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.39 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 0.36 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.13 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 0.76 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 0.74 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 0.38 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.06 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.55 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 0.73 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.73 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 3.12 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.24 112.107 169.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 0.46 111.207 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 0.86 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 2.58 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 2.79 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.6 112.619 167.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -103.44 120.37 40.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.22 111.307 -174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 C-N-CA 124.588 1.089 . . . . 2.52 114.254 -173.655 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 114.199 0.44 . . . . 2.08 114.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -134.43 151.95 51.5 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.291 1.836 . . . . 0.88 111.262 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 1.99 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 1.67 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 0.43 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 1.75 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.31 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 1.52 112.412 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 0.41 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 0.87 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 2.96 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.9 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' HD21 ' A' ' 46' ' ' LEU . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 3.8 115.998 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.19 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.0 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.16 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG12 HG11 ' A' ' 44' ' ' VAL . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 0.86 109.464 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.16 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 0.54 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 0.62 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 4.85 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 1.19 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' HG22 ' A' ' 69' ' ' THR . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.26 111.452 158.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 0.63 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.69 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.84 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 0.91 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 1.02 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.61 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 1.68 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.88 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 0.81 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.93 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 HG12 ' A' ' 26' ' ' VAL . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 2.03 110.731 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.74 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 26' ' ' VAL . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 1.59 111.738 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 2.56 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.85 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 0.65 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 1.12 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 0.33 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.58 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 0.32 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 0.63 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 0.51 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.57 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 0.81 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 2.39 112.417 170.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.61 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 0.37 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 1.64 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 0.5 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 0.7 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 0.41 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.37 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.59 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 32' ' ' SER . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 0.7 112.19 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.82 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 2.85 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.34 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 0.61 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 0.56 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 1.15 112.645 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' H ' HD12 ' A' ' 75' ' ' LEU . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 1.96 113.363 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -103.54 83.74 2.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 1.93 110.041 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 N-CA-C 116.492 1.357 . . . . 3.53 116.492 170.332 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 CA-C-O 121.243 0.357 . . . . 2.06 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t -129.64 146.5 51.42 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.905 1.282 . . . . 0.88 113.127 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.03 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 2.43 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 0.62 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 2.6 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' HB2' HG23 ' A' ' 51' ' ' VAL . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 1.58 112.029 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 0.46 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 HG21 ' A' ' 51' ' ' VAL . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 0.63 113.01 -169.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 3.26 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.09 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 3.41 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.01 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.24 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 0.67 110.257 165.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 0.53 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 0.74 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 3.29 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.07 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.29 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 0.7 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.48 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.31 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 0.87 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 1.01 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.51 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 2.07 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.76 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.26 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 0.8 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.64 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 51' ' ' VAL . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 1.88 109.873 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.15 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.03 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.92 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 2.58 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.05 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 2.03 109.519 177.358 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 2.68 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 0.37 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.5 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 0.38 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 0.7 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 0.47 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.5 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.73 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.97 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.38 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 0.32 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 1.94 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 0.49 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 0.59 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 0.44 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.22 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 0.77 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.6 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.06 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 2.92 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 0.6 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 0.73 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 1.09 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.608 ' H ' HD12 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 2.39 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.55 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -84.35 156.73 21.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 1.32 109.856 168.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 115.807 1.083 . . . . 2.43 115.807 -170.538 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.15 0 CA-C-O 121.742 0.635 . . . . 2.01 114.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -137.92 152.73 49.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.837 1.655 . . . . 0.94 111.849 -170.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 2.26 112.78 -162.358 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 1.81 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 0.54 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 1.72 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 2.05 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 0.36 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 0.93 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 4.77 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 0.65 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 2.66 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 1.9 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.23 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.07 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 0.82 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 0.61 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 0.81 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 2.68 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 1.39 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.05 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 0.8 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.05 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.95 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 0.99 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.01 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.56 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 1.71 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.24 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 0.95 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.78 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 2.02 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.74 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 1.87 111.451 168.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.94 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 3.41 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 0.9 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 0.65 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 0.94 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 0.23 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 0.76 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 0.43 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 HD12 ' A' ' 11' ' ' LEU . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 0.57 113.841 171.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 0.61 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.49 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 0.66 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.56 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 0.44 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 1.87 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 0.46 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 0.7 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 0.47 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 0.69 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 3.05 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 4.83 111.764 175.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 0.56 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 0.53 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 1.18 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 1.5 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -111.0 150.39 29.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 1.34 111.416 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 123.945 0.783 . . . . 2.96 112.352 167.048 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.842 0 CA-C-O 122.807 1.226 . . . . 1.46 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -137.93 152.5 49.04 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 126.484 1.914 . . . . 1.04 111.189 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 1.98 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 1.68 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 0.81 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 1.9 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.03 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 2.15 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 0.36 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.04 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 3.16 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 0.88 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 3.6 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.1 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 1.91 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.11 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 0.81 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.32 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 0.4 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 0.76 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 3.3 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.05 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 0.95 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 0.61 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.28 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 0.92 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 0.97 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.55 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 1.97 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.06 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.17 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 0.85 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.74 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 51' ' ' VAL . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 1.52 111.949 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.03 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 1.3 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.82 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.12 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 3.73 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 0.87 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 44' ' ' VAL . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 0.7 111.488 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 0.96 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 0.38 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.64 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 0.32 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 0.57 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 0.54 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.62 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.22 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.61 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 0.41 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 1.73 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 0.54 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 0.65 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 0.4 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.73 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 0.9 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.65 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 2.68 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 2.98 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 0.6 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 0.61 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 1.13 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 1.84 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68 111.061 170.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -91.3 128.54 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.33 111.898 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 126.695 2.093 . . . . 2.35 111.017 174.804 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.285 0 N-CA-C 110.496 -1.042 . . . . 1.83 110.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t -136.57 152.91 51.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.762 2.025 . . . . 0.83 111.933 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 1.9 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 1.94 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 0.56 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 1.66 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.74 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 2.11 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 0.54 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 1.05 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.09 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 0.69 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 3.53 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.15 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 2.8 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.2 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.85 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 0.94 109.82 174.55 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.37 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 0.52 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 0.76 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 3.05 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 1.07 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 1.09 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 0.62 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 1.76 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.96 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 0.84 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 1.13 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.7 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 2.12 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.97 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 0.83 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.76 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 1.52 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.76 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 1.36 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.91 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.45 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 2.35 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 1.56 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 0.86 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 1.19 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 0.25 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.64 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 0.3 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 0.42 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 0.6 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.51 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.65 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.45 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 0.45 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 2.17 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 0.63 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 0.93 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 0.45 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.44 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.72 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 0.77 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.66 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 2.51 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.22 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 0.58 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 0.89 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 1.17 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.531 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 1.56 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.42 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -91.29 144.22 25.83 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 1.45 109.298 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 116.666 1.426 . . . . 2.94 116.666 -159.292 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-O 121.195 0.33 . . . . 1.66 112.804 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -138.84 156.18 47.53 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.487 -1.008 . . . . 0.86 112.771 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 2.12 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 1.86 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 0.66 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 1.85 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.03 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 1.6 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 0.45 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 0.62 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 2.99 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 0.59 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 2.96 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 2.59 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.19 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 0.76 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.67 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 0.64 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 69' ' ' THR . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 0.87 110.981 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.04 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 1.73 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.48 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 0.83 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.69 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 1.01 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 1.45 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.87 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 1.64 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.88 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.34 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 1.14 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.81 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 2.11 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.39 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 1.54 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.94 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.44 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 3.5 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 1.77 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 0.65 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 1.15 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 0.27 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.47 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 0.37 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 0.45 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 0.47 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.64 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.92 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.05 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 0.36 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 1.87 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 0.55 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 0.73 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 0.42 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.24 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.99 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 29' ' ' VAL . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.18 112.382 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.18 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.24 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.48 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 0.82 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 0.74 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 76' ' ' LYS . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 1.18 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 2.26 114.763 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.48 112.947 157.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -100.84 105.75 17.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.57 109.348 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 C-N-CA 124.169 0.89 . . . . 4.06 113.933 -170.367 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 109.468 -1.453 . . . . 2.01 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t -132.79 146.57 51.95 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 126.234 1.813 . . . . 0.85 111.942 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 1.91 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.0 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 0.73 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 2.51 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 2.28 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 0.58 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 0.58 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.14 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.68 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 2.83 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.19 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.15 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.7 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 0.69 110.254 165.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.24 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 0.64 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 0.63 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.1 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.06 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 0.97 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 0.72 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.45 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.15 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 1.3 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 1.33 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.67 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 1.45 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.62 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 0.9 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.8 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 1.99 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 0.9 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 1.46 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.92 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 2.49 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 1.82 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 0.65 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.04 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 0.37 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 0.97 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 0.31 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 0.56 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 0.5 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.51 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 0.85 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.83 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.63 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 0.36 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.79 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 0.59 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 0.7 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 0.46 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.61 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 2.15 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 2.79 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 3.66 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 0.67 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 0.73 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 1.12 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.582 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 1.56 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.61 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.24 156.18 19.77 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.26 111.181 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 C-N-CA 125.194 1.378 . . . . 2.49 114.631 -178.513 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 122.309 0.949 . . . . 2.87 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 158.92 18.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 127.476 2.311 . . . . 1.55 112.845 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 2.37 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.15 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 0.47 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 1.62 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 2.13 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 0.5 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 0.66 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.56 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 0.7 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 3.43 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.49 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.26 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 1.65 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 0.82 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 0.4 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 0.6 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.03 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.09 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.05 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 0.55 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.57 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 0.85 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 0.97 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.63 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 1.59 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.06 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.4 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 3.02 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.72 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 2.3 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.15 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 1.55 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.32 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.08 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 2.41 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 0.95 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 0.95 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 1.06 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 0.31 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.6 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 0.36 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 0.6 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 0.56 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.6 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 0.73 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.88 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 0.42 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 1.4 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 0.69 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 1.06 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 0.51 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.78 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 0.74 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.68 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 2.46 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 3.06 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 0.6 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 0.51 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 1.14 112.156 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 1.4 112.476 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.42 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -98.74 145.98 26.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.12 110.366 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 116.049 1.18 . . . . 2.32 116.049 -166.104 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 112.54 -0.224 . . . . 2.8 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t -124.96 157.69 35.45 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.124 1.769 . . . . 0.94 110.804 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 2.41 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 2.64 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.51 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 1.68 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.4 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 1.63 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 0.67 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 0.56 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 2.84 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 0.66 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 2.81 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.63 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 2.92 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG12 HG11 ' A' ' 44' ' ' VAL . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 0.91 110.929 -177.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.58 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 0.54 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 0.6 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 2.7 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 1.2 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 0.96 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 0.66 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 1.68 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 1.35 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 2.22 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 0.96 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 1.96 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.22 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.03 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.63 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 HG12 ' A' ' 26' ' ' VAL . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 1.95 111.375 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.21 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 2.11 112.458 174.503 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.08 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 3.31 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 1.29 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 0.69 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.04 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 0.47 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.59 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 0.39 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 0.91 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 0.54 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.61 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.0 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.47 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 0.37 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 1.57 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 1.04 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 0.84 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.15 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 2.29 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.06 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 0.73 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.97 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 2.83 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 2.79 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 0.5 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 0.55 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 1.23 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 1.35 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.43 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.71 155.09 27.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 1.33 111.962 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.37 0.986 . . . . 2.4 113.924 175.82 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 114.561 0.584 . . . . 2.13 114.561 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -145.81 153.06 40.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.051 1.741 . . . . 0.84 112.314 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 40' ' ' GLN . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 2.99 114.629 -163.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 2.57 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 2.59 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.15 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 1.68 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 0.46 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 0.6 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 3.29 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 0.73 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 2.66 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.07 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.16 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.85 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 44' ' ' VAL . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 0.75 110.911 171.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.24 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 0.48 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG13 HG21 ' A' ' 69' ' ' THR . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 0.58 110.324 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 2.9 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 1.46 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 2.4 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 0.55 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.38 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.95 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 0.91 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 0.96 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.56 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 1.54 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 11' ' ' LEU . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.09 112.447 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.05 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 0.84 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.22 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 26' ' ' VAL . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 1.96 110.073 171.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.72 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 1.44 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.34 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.57 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 2.84 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 0.95 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 0.63 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 0.91 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 0.37 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 0.74 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 0.31 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 0.45 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 0.53 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.48 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 0.76 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.46 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.36 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 0.43 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 1.53 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 0.53 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 0.76 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 0.47 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.443 HG21 HG13 ' A' ' 29' ' ' VAL . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 0.8 113.631 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.7 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 3.24 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 2.75 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 0.83 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 0.99 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 1.09 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.626 ' H ' HD12 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 2.24 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.47 112.423 158.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.6 126.43 31.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 1.31 108.716 166.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 114.268 0.467 . . . . 2.2 114.268 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 122.135 0.853 . . . . 1.75 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -151.96 149.64 29.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.987 1.715 . . . . 1.04 112.675 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD11 ' HG3' ' A' ' 40' ' ' GLN . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 3.03 113.731 -168.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 1.83 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 0.45 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 1.56 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 1.55 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 0.37 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 0.56 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 3.79 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 0.88 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 3.44 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 0.95 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 1.86 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.31 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.99 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 0.68 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.42 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 0.51 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 0.66 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 3.13 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 1.37 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.38 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 0.78 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.47 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.11 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 1.9 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 1.22 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.0 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 1.77 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 11' ' ' LEU . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.97 113.236 167.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 0.86 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.676 HG22 HG13 ' A' ' 51' ' ' VAL . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 1.57 110.379 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.72 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 1.37 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.55 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 2.35 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 1.13 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.676 HG13 HG22 ' A' ' 44' ' ' VAL . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 0.71 111.49 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 0.97 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.25 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.58 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 0.38 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 0.62 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 0.53 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.49 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 0.73 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.66 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.24 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 0.37 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.23 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 0.75 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 0.64 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 0.43 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.9 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.33 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 0.87 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.05 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 3.17 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.3 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 0.46 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 0.61 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 1.14 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.597 ' H ' HD12 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 1.92 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.43 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -108.25 120.47 42.45 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 1.27 111.378 -173.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 C-N-CA 125.232 1.396 . . . . 2.45 113.278 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 CA-C-O 122.138 0.855 . . . . 1.49 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -137.47 169.37 17.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.497 1.519 . . . . 0.91 111.018 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 3.06 114.572 -162.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.02 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 0.74 109.655 160.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 2.87 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.11 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 1.71 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 0.54 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 0.62 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 2.8 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 0.8 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 2.99 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.07 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 1.77 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.25 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.71 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 0.8 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 0.43 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 0.64 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.06 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 1.1 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 0.96 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 0.65 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.88 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 0.96 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 0.83 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 1.04 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.6 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 1.43 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.74 112.543 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 1.12 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.12 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 1.63 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.27 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 1.43 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.52 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.35 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 2.62 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 0.91 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 0.8 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 1.47 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 0.35 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.52 109.59 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 0.42 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 0.65 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 0.39 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.47 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 0.8 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 2.51 112.533 171.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.38 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 0.42 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 1.61 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 0.68 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 0.93 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 0.49 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.19 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.61 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 0.68 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.7 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 2.4 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.01 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 0.62 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 0.68 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 2.68 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 1.78 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.61 111.768 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt -92.41 144.22 25.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.13 111.458 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 124.818 1.199 . . . . 2.51 114.969 -176.552 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 CA-C-O 121.355 0.419 . . . . 1.9 112.735 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t -142.98 145.16 32.7 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.403 1.481 . . . . 0.88 112.872 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 2.4 111.133 -166.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 1.94 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 0.58 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 1.52 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 1.66 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 0.5 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 0.56 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.39 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE3' HG22 ' A' ' 26' ' ' VAL . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 0.83 110.334 168.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 2.77 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 0.94 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 2.33 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.26 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.74 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' HE3' ' A' ' 20' ' ' MET . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 2.27 112.975 174.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 0.91 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 HG21 ' A' ' 69' ' ' THR . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 0.84 110.225 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 3.04 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 1.51 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.2 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 0.88 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.49 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.15 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 1.29 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 1.69 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 0.96 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 1.5 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.16 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 0.83 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.56 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 51' ' ' VAL . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 2.11 111.118 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.0 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 2.12 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.47 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.13 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 2.66 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 0.93 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.611 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 0.82 109.547 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 0.93 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 0.23 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.65 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 0.35 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 11' ' ' LEU . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 0.48 114.511 174.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 0.72 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.58 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.72 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.66 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.4 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 0.37 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.38 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 0.54 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 0.67 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 0.41 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.89 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 HG13 ' A' ' 29' ' ' VAL . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 0.66 113.009 167.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 2.47 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 2.99 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 0.52 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 0.66 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 2.64 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 1.43 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.48 110.434 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -126.71 169.02 13.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 1.7 113.08 -167.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 116.376 1.31 . . . . 3.35 116.376 174.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 CA-C-O 122.001 0.778 . . . . 1.94 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -113.34 161.35 17.36 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.344 1.858 . . . . 1.04 110.475 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 2.08 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 1.64 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 0.45 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 1.72 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 1.67 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 0.4 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 0.56 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 2.84 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 0.93 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 3.29 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.19 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.3 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.74 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 0.86 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.39 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 0.53 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 0.63 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 2.58 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 1.29 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 0.93 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 0.58 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 1.57 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.02 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 1.27 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 0.95 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.56 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 1.67 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 0.89 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.39 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 51' ' ' VAL . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 1.56 110.877 172.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.76 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 2.69 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.28 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.38 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 2.61 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 0.99 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 44' ' ' VAL . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 0.74 110.916 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.0 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 0.33 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.51 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 0.33 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 0.5 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 0.4 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.68 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.86 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.7 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.3 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 0.48 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 1.74 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 0.85 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 1.14 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 0.38 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.26 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 0.77 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 2.36 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 2.92 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 0.67 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 0.54 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 1.2 113.65 177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 1.55 113.014 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -91.93 132.89 36.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 1.51 108.979 172.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 O-C-N 121.852 -0.53 . . . . 3.78 111.912 -165.159 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 N-CA-C 111.631 -0.588 . . . . 2.35 111.631 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -134.88 156.44 48.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.25 1.42 . . . . 1.12 111.909 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.05 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 1.91 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 0.7 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 1.79 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.23 110.606 -172.641 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 1.64 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 0.37 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 1.46 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 4.23 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 0.89 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 3.72 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.09 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 1.64 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 0.95 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.37 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 0.42 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 0.55 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 2.57 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.05 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.06 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 0.62 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.38 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.84 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 0.95 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 0.97 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.52 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 1.7 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.43 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.11 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 0.8 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.67 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 2.42 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.77 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 2.31 111.682 171.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.99 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 3.88 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 0.9 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 1.26 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 1.22 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 0.39 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.69 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 0.84 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 1.09 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.5 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 0.84 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 2.73 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 0.41 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 1.91 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 0.53 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 0.79 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 0.51 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.69 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.58 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 0.81 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 2.38 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 4.35 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 0.75 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 0.79 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 1.23 112.439 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 75' ' ' LEU . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 1.67 112.726 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -120.85 122.54 40.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.55 111.607 -168.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 125.666 1.603 . . . . 3.11 115.225 171.398 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.498 -0.241 . . . . 3.56 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t 52.98 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.504 3.121 . . . . 1.21 115.271 -163.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 1.99 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.0 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 0.94 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 2.48 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.69 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 2.41 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 0.39 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 0.62 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.09 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 0.67 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.12 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.14 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.19 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81 109.983 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 0.74 111.296 172.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.72 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 0.61 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 0.88 109.577 174.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 2.94 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 1.42 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 1.19 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.74 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.41 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.8 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 0.84 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 0.92 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.62 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 1.54 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.19 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.93 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 0.85 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.44 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 51' ' ' VAL . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 2.32 109.929 -165.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 0.83 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 2.25 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.13 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 2.74 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 1.2 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 0.74 107.777 172.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 2.43 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 0.23 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.56 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 0.31 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 0.45 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 0.59 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 0.9 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 2.66 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 0.51 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 1.61 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 0.67 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 0.83 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 0.39 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.99 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.7 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 0.72 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 3.35 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 3.07 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 0.49 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 0.9 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 1.18 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 1.52 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' HD11 ' A' ' 75' ' ' LEU . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt -137.0 132.71 34.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 1.75 111.431 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 124.157 0.884 . . . . 3.83 113.325 -168.678 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 CA-C-O 119.353 -0.693 . . . . 3.46 113.377 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t 56.92 150.71 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 130.016 3.326 . . . . 1.06 116.82 -177.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 2.99 115.031 -162.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 3.69 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 0.67 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 2.42 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.32 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 1.63 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 0.37 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 0.64 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 5.04 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.04 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 3.73 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.05 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.55 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.19 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 0.98 108.952 169.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 0.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 0.97 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 2.86 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 1.42 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.13 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 0.97 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.06 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 0.76 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 1.03 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 0.89 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.54 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 1.99 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' HD11 ' A' ' 11' ' ' LEU . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.37 114.769 -171.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 0.85 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 51' ' ' VAL . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 2.26 111.192 -162.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.8 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 2.3 111.478 169.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.08 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.03 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 2.82 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 0.87 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 44' ' ' VAL . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 0.73 109.81 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 0.95 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 0.28 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.56 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 0.65 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 0.68 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 0.59 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.52 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 0.65 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 2.56 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.57 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 0.4 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.27 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 0.55 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.7 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 0.47 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.94 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 0.95 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 0.9 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 2.62 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 2.86 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 0.65 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 0.75 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 1.16 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 1.6 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -82.93 141.92 31.8 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.22 109.793 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.166 1.365 . . . . 2.21 115.54 -170.229 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 122.073 0.94 . . . . 0.98 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 2.08 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 1.67 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 0.54 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 1.7 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.93 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 1.53 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 0.42 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 0.67 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 3.89 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 0.88 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.09 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.12 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.09 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 1.2 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 0.88 110.42 168.087 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.66 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 0.45 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 0.86 110.296 172.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 3.77 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 1.73 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 1.42 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 0.75 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.41 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.84 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 0.92 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 0.86 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.51 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 1.86 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.76 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 0.84 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 51' ' ' VAL . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 2.18 110.723 -168.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.81 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 1.37 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.24 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.05 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 2.79 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 0.97 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.78 108.68 176.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.01 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 0.23 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.54 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 0.33 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 0.49 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 0.41 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.54 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.72 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.33 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.43 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 0.3 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 1.68 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 0.59 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 0.64 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 0.4 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.28 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 0.82 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.65 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 2.23 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.87 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 0.44 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 0.52 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD12 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 1.15 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 1.76 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.43 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 1.19 111.203 -178.235 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.479 0.181 . . . . 0.72 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 2.03 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 1.8 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 0.5 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 1.7 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 2.08 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 0.56 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 0.61 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 3.64 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 0.92 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 3.37 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.07 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.36 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.51 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 0.82 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.05 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 0.66 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 0.77 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 2.91 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.07 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 1.64 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 1.23 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.52 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.18 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 1.58 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 1.8 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.85 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 1.69 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 0.93 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.09 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 1.56 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.73 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 1.27 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 3.76 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 0.91 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 0.75 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 0.96 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 0.28 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.58 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 0.32 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 0.45 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 0.61 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.84 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.12 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.05 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.81 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 0.3 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 1.86 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 0.52 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 0.87 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 0.46 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.66 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.58 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 0.65 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 2.63 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.01 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 0.59 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 0.72 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 1.18 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 2.57 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 1.19 112.014 -178.309 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.171 0.804 . . . . 1.07 113.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 1.95 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.07 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 0.67 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 1.62 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.11 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 1.77 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 0.45 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 0.89 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 0.71 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 2.99 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 2.3 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.23 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.9 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 0.79 110.963 175.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.38 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 0.51 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 0.57 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 3.28 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 1.27 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.4 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 0.84 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.62 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.33 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 1.41 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 1.04 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.63 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 1.85 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.87 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.01 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 0.91 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.74 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 51' ' ' VAL . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 1.59 111.732 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.79 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 1.42 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.6 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.31 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.0 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 44' ' ' VAL . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 0.94 111.317 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 1.04 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 0.36 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 0.82 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 0.53 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 0.67 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 0.64 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.53 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 0.99 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 2.3 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.39 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 0.36 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.13 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 0.76 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 0.74 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 0.38 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.06 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.55 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 0.73 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.73 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 3.12 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.24 112.107 169.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' H ' ' NE2' ' A' ' 72' ' ' GLN . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 0.46 111.207 -175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 0.86 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 2.58 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 2.79 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.6 112.619 167.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.22 111.307 -174.442 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 111.262 0.097 . . . . 0.88 111.262 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 1.99 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 1.67 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 0.43 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 1.75 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.31 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 1.52 112.412 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 0.41 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 0.87 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 2.96 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.9 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' HD21 ' A' ' 46' ' ' LEU . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 3.8 115.998 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.19 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.0 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.16 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG12 HG11 ' A' ' 44' ' ' VAL . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 0.86 109.464 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.16 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 0.54 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 0.62 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 4.85 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 1.19 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' HG22 ' A' ' 69' ' ' THR . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.26 111.452 158.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 0.63 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.69 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.84 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 0.91 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 1.02 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.61 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 1.68 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.88 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 0.81 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.93 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 HG12 ' A' ' 26' ' ' VAL . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 2.03 110.731 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.74 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 26' ' ' VAL . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 1.59 111.738 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 2.56 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.85 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 0.65 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 1.12 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 0.33 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.58 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 0.32 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 0.63 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 0.51 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.57 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 0.81 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 2.39 112.417 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.61 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 0.37 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 1.64 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 0.5 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 0.7 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 0.41 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.37 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.59 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 32' ' ' SER . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 0.7 112.19 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.82 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 2.85 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.34 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 0.61 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 0.56 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 1.15 112.645 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' H ' HD12 ' A' ' 75' ' ' LEU . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 1.96 113.363 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 1.93 110.041 -174.401 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.88 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.03 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 2.43 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 0.62 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 2.6 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' HB2' HG23 ' A' ' 51' ' ' VAL . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 1.58 112.029 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 0.46 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 HG21 ' A' ' 51' ' ' VAL . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 0.63 113.01 -169.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 3.26 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.09 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 3.41 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.01 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.24 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 0.67 110.257 165.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 0.53 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 0.74 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 3.29 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.07 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.29 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 0.7 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.48 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.31 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 0.87 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 1.01 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.51 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 2.07 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.76 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.26 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 0.8 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.64 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 51' ' ' VAL . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 1.88 109.873 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.15 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.03 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.92 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 2.58 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.05 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 2.03 109.519 177.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 2.68 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 0.37 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.5 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 0.38 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 0.7 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 0.47 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.5 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.73 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.97 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.38 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 0.32 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 1.94 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 0.49 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 0.59 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 0.44 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.22 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 0.77 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.6 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.06 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 2.92 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 0.6 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 0.73 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 1.09 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.608 ' H ' HD12 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 2.39 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.55 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 1.32 109.856 168.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 111.849 0.315 . . . . 0.94 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 2.26 112.78 -162.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 1.81 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 0.54 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 1.72 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 2.05 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 0.36 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 0.93 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 4.77 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 0.65 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 2.66 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 1.9 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.23 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.07 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 0.82 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 0.61 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 0.81 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 2.68 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 1.39 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.05 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 0.8 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.05 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.95 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 0.99 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.01 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.56 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 1.71 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.24 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 0.95 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.78 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 2.02 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.74 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 1.87 111.451 168.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.94 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 3.41 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 0.9 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 0.65 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 0.94 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 0.23 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 0.76 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 0.43 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 HD12 ' A' ' 11' ' ' LEU . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 0.57 113.841 171.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 0.61 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.49 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 0.66 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.56 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 0.44 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 1.87 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 0.46 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 0.7 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 0.47 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 0.69 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 3.05 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 4.83 111.764 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 0.56 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 0.53 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 1.18 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 1.5 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 1.34 111.416 -172.706 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.737 0.303 . . . . 1.04 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 1.98 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 1.68 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 0.81 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 1.9 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.03 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 2.15 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 0.36 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.04 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 3.16 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 0.88 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 3.6 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.1 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 1.91 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.11 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 0.81 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.32 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 0.4 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 0.76 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 3.3 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.05 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 0.95 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 0.61 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.28 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 0.92 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 0.97 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.55 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 1.97 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.06 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.17 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 0.85 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.74 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 51' ' ' VAL . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 1.52 111.949 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.03 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 1.3 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.82 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.12 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 3.73 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 0.87 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 44' ' ' VAL . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 0.7 111.488 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 0.96 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 0.38 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.64 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 0.32 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 0.57 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 0.54 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.62 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.22 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.61 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 0.41 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 1.73 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 0.54 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 0.65 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 0.4 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.73 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 0.9 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.65 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 2.68 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 2.98 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 0.6 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 0.61 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 1.13 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 1.84 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68 111.061 170.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.33 111.898 -179.114 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.262 0.553 . . . . 0.83 111.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 1.9 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 1.94 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 0.56 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 1.66 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.74 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 2.11 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 0.54 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 1.05 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.09 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 0.69 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 3.53 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.15 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 2.8 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.2 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.85 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 0.94 109.82 174.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.37 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 0.52 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 0.76 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 3.05 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 1.07 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 1.09 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 0.62 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 1.76 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.96 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 0.84 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 1.13 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.7 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 2.12 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.97 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 0.83 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.76 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 1.52 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.76 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 1.36 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.91 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.45 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 2.35 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 1.56 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 0.86 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 1.19 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 0.25 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.64 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 0.3 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 0.42 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 0.6 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.51 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.65 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.45 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 0.45 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 2.17 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 0.63 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 0.93 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 0.45 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.44 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.72 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 0.77 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.66 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 2.51 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.22 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 0.58 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 0.89 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 1.17 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.531 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 1.56 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.42 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 1.45 109.298 170.047 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 112.771 0.656 . . . . 0.86 112.771 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 2.12 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 1.86 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 0.66 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 1.85 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.03 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 1.6 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 0.45 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 0.62 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 2.99 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 0.59 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 2.96 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 2.59 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.19 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 0.76 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.67 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 0.64 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 69' ' ' THR . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 0.87 110.981 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.04 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 1.73 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.48 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 0.83 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.69 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 1.01 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 1.45 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.87 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 1.64 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.88 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.34 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 1.14 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.81 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 2.11 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.39 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 1.54 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.94 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.44 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 3.5 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 1.77 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 0.65 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 1.15 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 0.27 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.47 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 0.37 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 0.45 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 0.47 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.64 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.92 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.05 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 0.36 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 1.87 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 0.55 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 0.73 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 0.42 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.24 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.99 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 29' ' ' VAL . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.18 112.382 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.18 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.24 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.48 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 0.82 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 0.74 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 76' ' ' LYS . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 1.18 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 2.26 114.763 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.48 112.947 157.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.57 109.348 178.322 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.467 0.413 0 CA-C-O 121.23 0.538 . . . . 0.85 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 1.91 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.0 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 0.73 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 2.51 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 2.28 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 0.58 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 0.58 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.14 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.68 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 2.83 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.19 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.15 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.7 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 0.69 110.254 165.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.24 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 0.64 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 0.63 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.1 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.06 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 0.97 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 0.72 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.45 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.15 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 1.3 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 1.33 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.67 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 1.45 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.62 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 0.9 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.8 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 1.99 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 0.9 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 1.46 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.92 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 2.49 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 1.82 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 0.65 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.04 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 0.37 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 0.97 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 0.31 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 0.56 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 0.5 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.51 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 0.85 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.83 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.63 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 0.36 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.79 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 0.59 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 0.7 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 0.46 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.61 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 2.15 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 2.79 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 3.66 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 0.67 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 0.73 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 1.12 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.582 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 1.56 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.61 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.26 111.181 174.17 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.234 1.016 . . . . 1.55 112.845 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 2.37 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.15 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 0.47 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 1.62 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 2.13 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 0.5 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 0.66 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.56 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 0.7 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 3.43 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.49 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.26 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 1.65 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 0.82 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 0.4 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 0.6 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.03 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.09 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.05 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 0.55 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.57 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 0.85 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 0.97 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.63 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 1.59 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.06 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.4 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 3.02 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.72 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 2.3 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.15 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 1.55 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.32 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.08 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 2.41 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 0.95 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 0.95 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 1.06 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 0.31 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.6 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 0.36 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 0.6 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 0.56 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.6 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 0.73 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.88 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 0.42 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 1.4 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 0.69 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 1.06 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 0.51 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.78 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 0.74 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.68 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 2.46 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 3.06 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 0.6 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 0.51 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 1.14 112.156 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 1.4 112.476 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.42 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.12 110.366 175.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 121.28 0.562 . . . . 0.94 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 2.41 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 2.64 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.51 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 1.68 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.4 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 1.63 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 0.67 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 0.56 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 2.84 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 0.66 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 2.81 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.63 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 2.92 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG12 HG11 ' A' ' 44' ' ' VAL . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 0.91 110.929 -177.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.58 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 0.54 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 0.6 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 2.7 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 1.2 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 0.96 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 0.66 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 1.68 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 1.35 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 2.22 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 0.96 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 1.96 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.22 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.03 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.63 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 HG12 ' A' ' 26' ' ' VAL . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 1.95 111.375 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.21 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 2.11 112.458 174.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.08 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 3.31 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 1.29 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 0.69 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.04 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 0.47 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.59 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 0.39 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 0.91 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 0.54 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.61 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.0 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.47 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 0.37 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 1.57 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 1.04 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 0.84 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.15 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 2.29 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.06 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 0.73 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.97 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 2.83 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 2.79 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 0.5 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 0.55 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 1.23 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 1.35 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.43 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 1.33 111.962 -179.525 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.469 0.496 0 N-CA-C 112.314 0.487 . . . . 0.84 112.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 40' ' ' GLN . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 2.99 114.629 -163.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 2.57 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 2.59 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.15 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 1.68 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 0.46 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 0.6 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 3.29 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 0.73 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 2.66 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.07 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.16 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.85 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 44' ' ' VAL . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 0.75 110.911 171.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.24 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 0.48 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG13 HG21 ' A' ' 69' ' ' THR . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 0.58 110.324 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 2.9 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 1.46 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 2.4 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 0.55 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.38 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.95 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 0.91 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 0.96 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.56 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 1.54 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 11' ' ' LEU . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.09 112.447 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.05 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 0.84 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.22 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 26' ' ' VAL . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 1.96 110.073 171.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.72 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 1.44 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.34 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.57 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 2.84 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 0.95 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 0.63 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 0.91 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 0.37 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 0.74 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 0.31 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 0.45 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 0.53 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.48 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 0.76 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.46 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.36 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 0.43 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 1.53 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 0.53 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 0.76 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 0.47 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.443 HG21 HG13 ' A' ' 29' ' ' VAL . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 0.8 113.631 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.7 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 3.24 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 2.75 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 0.83 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 0.99 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 1.09 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.626 ' H ' HD12 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 2.24 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.47 112.423 158.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 1.31 108.716 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.675 0.62 . . . . 1.04 112.675 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 HD11 ' HG3' ' A' ' 40' ' ' GLN . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 3.03 113.731 -168.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 1.83 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 0.45 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 1.56 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 1.55 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 0.37 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 0.56 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 3.79 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 0.88 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 3.44 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 0.95 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 1.86 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.31 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.99 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 0.68 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.42 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 0.51 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 0.66 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 3.13 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 1.37 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.38 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 0.78 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.47 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.11 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 1.9 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 1.22 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.0 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 1.77 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 11' ' ' LEU . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.97 113.236 167.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 0.86 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.676 HG22 HG13 ' A' ' 51' ' ' VAL . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 1.57 110.379 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.72 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 1.37 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.55 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 2.35 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 1.13 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.676 HG13 HG22 ' A' ' 44' ' ' VAL . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 0.71 111.49 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 0.97 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.25 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.58 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 0.38 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 0.62 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 0.53 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.49 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 0.73 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.66 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.24 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 0.37 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.23 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 0.75 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 0.64 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 0.43 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.9 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.33 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 0.87 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.05 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 3.17 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.3 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 0.46 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 0.61 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 1.14 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.597 ' H ' HD12 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 1.92 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.43 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 1.27 111.378 -173.1 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 121.25 0.548 . . . . 0.91 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 3.06 114.572 -162.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.02 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 0.74 109.655 160.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 2.87 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.11 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 1.71 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 0.54 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 0.62 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 2.8 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 0.8 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 2.99 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.07 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 1.77 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.25 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.71 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 0.8 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 0.43 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 0.64 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.06 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 1.1 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 0.96 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 0.65 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.88 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 0.96 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 0.83 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 1.04 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.6 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 1.43 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.74 112.543 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 1.12 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.12 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 1.63 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.27 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 1.43 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.52 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.35 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 2.62 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 0.91 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 0.8 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 1.47 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 0.35 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.52 109.59 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 0.42 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 0.65 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 0.39 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.47 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 0.8 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 2.51 112.533 171.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.38 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 0.42 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 1.61 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 0.68 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 0.93 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 0.49 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.19 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.61 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 0.68 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.7 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 2.4 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.01 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 0.62 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 0.68 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 2.68 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 1.78 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.61 111.768 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.13 111.458 -177.86 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.517 -0.289 0 N-CA-C 112.872 0.693 . . . . 0.88 112.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 2.4 111.133 -166.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 1.94 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 0.58 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 1.52 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 1.66 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 0.5 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 0.56 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.39 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE3' HG22 ' A' ' 26' ' ' VAL . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 0.83 110.334 168.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 2.77 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 0.94 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 2.33 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.26 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.74 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' HE3' ' A' ' 20' ' ' MET . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 2.27 112.975 174.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 0.91 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 HG21 ' A' ' 69' ' ' THR . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 0.84 110.225 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 3.04 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 1.51 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.2 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 0.88 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.49 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.15 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 1.29 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 1.69 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 0.96 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 1.5 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.16 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 0.83 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.56 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 51' ' ' VAL . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 2.11 111.118 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.0 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 2.12 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.47 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.13 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 2.66 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 0.93 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.611 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 0.82 109.547 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 0.93 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 0.23 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.65 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 0.35 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 11' ' ' LEU . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 0.48 114.511 174.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 0.72 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.58 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.72 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.66 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.4 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 0.37 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.38 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 0.54 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 0.67 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 0.41 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.89 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 HG13 ' A' ' 29' ' ' VAL . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 0.66 113.009 167.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 2.47 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 2.99 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 0.52 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 0.66 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 2.64 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 1.43 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.48 110.434 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 1.7 113.08 -167.595 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.845 0.355 . . . . 1.04 110.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 2.08 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 1.64 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 0.45 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 1.72 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 1.67 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 0.4 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 0.56 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 2.84 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 0.93 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 3.29 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.19 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.3 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.74 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 0.86 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.39 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 0.53 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 0.63 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 2.58 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 1.29 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 0.93 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 0.58 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 1.57 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.02 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 1.27 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 0.95 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.56 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 1.67 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 0.89 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.39 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 51' ' ' VAL . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 1.56 110.877 172.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.76 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 2.69 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.28 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.38 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 2.61 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 0.99 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 44' ' ' VAL . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 0.74 110.916 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.0 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 0.33 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.51 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 0.33 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 0.5 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 0.4 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.68 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.86 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.7 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.3 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 0.48 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 1.74 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 0.85 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 1.14 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 0.38 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.26 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 0.77 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 2.36 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 2.92 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 0.67 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 0.54 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 1.2 113.65 177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 1.55 113.014 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 1.51 108.979 172.755 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.851 0.358 . . . . 1.12 111.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.05 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 1.91 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 0.7 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 1.79 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.23 110.606 -172.641 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 1.64 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 0.37 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 1.46 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 4.23 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 0.89 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 3.72 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.09 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 1.64 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 0.95 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.37 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 0.42 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 0.55 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 2.57 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.05 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.06 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 0.62 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.38 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.84 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 0.95 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 0.97 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.52 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 1.7 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.43 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.11 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 0.8 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.67 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 2.42 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.77 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 2.31 111.682 171.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.99 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 3.88 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 0.9 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 1.26 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 1.22 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 0.39 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.69 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 0.84 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 1.09 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.5 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 0.84 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 2.73 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 0.41 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 1.91 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 0.53 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 0.79 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 0.51 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.69 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.58 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 0.81 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 2.38 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 4.35 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 0.75 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 0.79 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 1.23 112.439 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 75' ' ' LEU . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 1.67 112.726 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.55 111.607 -168.042 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 115.271 1.582 . . . . 1.21 115.271 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 1.99 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.0 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 0.94 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 2.48 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.69 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 2.41 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 0.39 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 0.62 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.09 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 0.67 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.12 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.14 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.19 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81 109.983 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 0.74 111.296 172.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.72 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 0.61 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 0.88 109.577 174.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 2.94 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 1.42 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 1.19 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.74 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.41 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.8 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 0.84 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 0.92 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.62 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 1.54 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.19 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.93 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 0.85 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.44 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 51' ' ' VAL . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 2.32 109.929 -165.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 0.83 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 2.25 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.13 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 2.74 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 1.2 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 0.74 107.777 172.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 2.43 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 0.23 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.56 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 0.31 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 0.45 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 0.59 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 0.9 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 2.66 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 0.51 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 1.61 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 0.67 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 0.83 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 0.39 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.99 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.7 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 0.72 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 3.35 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 3.07 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 0.49 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 0.9 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 1.18 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 1.52 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' HD11 ' A' ' 75' ' ' LEU . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 1.75 111.431 -174.294 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 116.82 2.156 . . . . 1.06 116.82 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 2.99 115.031 -162.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 3.69 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 0.67 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 2.42 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.32 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 1.63 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 0.37 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 0.64 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 5.04 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.04 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 3.73 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.05 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.55 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.19 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 0.98 108.952 169.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 0.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 0.97 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 2.86 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 1.42 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.13 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 0.97 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.06 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 0.76 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 1.03 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 0.89 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.54 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 1.99 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' HD11 ' A' ' 11' ' ' LEU . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.37 114.769 -171.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 0.85 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 51' ' ' VAL . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 2.26 111.192 -162.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.8 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 2.3 111.478 169.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.08 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.03 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 2.82 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 0.87 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 44' ' ' VAL . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 0.73 109.81 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 0.95 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 0.28 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.56 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 0.65 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 0.68 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 0.59 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.52 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 0.65 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 2.56 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.57 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 0.4 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.27 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 0.55 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.7 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 0.47 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.94 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 0.95 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 0.9 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 2.62 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 2.86 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 0.65 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 0.75 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 1.16 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 1.6 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.22 109.793 167.423 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.851 0 N-CA-C 108.641 -1.783 . . . . 1.82 108.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -115.11 155.13 27.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.435 1.118 . . . . 0.98 112.136 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 131.22 45.42 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.626 1.17 . . . . 2.08 110.386 -173.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.4 m -152.79 157.52 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.905 2.482 . . . . 1.67 109.405 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.9 m -91.47 118.3 30.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.148 0.579 . . . . 0.54 109.925 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -92.78 127.62 38.35 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.994 1.318 . . . . 1.7 109.465 169.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.7 91.93 3.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.471 1.508 . . . . 1.93 111.408 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.97 144.96 27.55 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.979 -1.076 . . . . 1.53 113.041 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.14 134.65 36.36 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.578 1.551 . . . . 0.42 111.651 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 m -139.37 164.47 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 114.123 1.157 . . . . 0.67 114.123 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.14 94.12 8.19 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.693 1.597 . . . . 3.89 111.575 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -152.45 160.52 43.26 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.136 1.374 . . . . 0.88 112.841 164.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -139.65 -19.12 0.94 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.568 2.062 . . . . 3.09 116.568 -173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 156.56 45.11 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 119.898 1.226 . . . . 1.12 113.25 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.13 -27.0 65.2 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.467 1.654 . . . . 2.09 115.467 -167.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.1 m -69.13 -29.92 68.07 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.779 1.029 . . . . 1.2 113.779 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.412 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.2 m -80.48 -40.73 25.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.826 0.85 . . . . 0.87 110.684 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -46.69 -53.28 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 127.77 2.428 . . . . 0.88 110.42 168.087 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.01 -32.17 73.21 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.511 1.124 . . . . 3.66 112.619 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.41 75.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.548 -0.72 . . . . 0.45 111.773 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.8 t -66.43 -45.87 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 119.283 0.947 . . . . 0.86 110.296 172.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -56.36 -39.21 72.53 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.982 0.913 . . . . 3.77 111.21 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.283 74.4 mttt -87.74 -20.65 25.89 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.97 1.471 . . . . 1.73 114.97 -177.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.1 t -68.45 -35.23 77.28 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.949 0.795 . . . . 1.42 112.124 159.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.74 -37.99 64.91 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.625 1.57 . . . . 0.75 113.768 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.07 133.99 51.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 122.425 1.107 . . . . 1.41 111.53 -174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.03 9.2 87.11 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.547 1.546 . . . . 0.84 115.846 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -76.36 136.65 24.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 120.352 2.076 . . . . 0.92 110.021 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 117.04 7.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.659 1.183 . . . . 0.86 110.968 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.16 0.02 56.0 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.246 1.403 . . . . 0.51 114.382 -175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.25 122.56 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 119.702 1.751 . . . . 1.86 109.84 171.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -75.08 -56.39 4.78 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.602 0.761 . . . . 2.76 110.458 168.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -158.15 168.07 28.08 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.481 1.913 . . . . 1.99 110.732 -166.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.23 159.46 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 125.922 1.689 . . . . 0.84 111.296 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -148.94 118.65 7.02 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 171.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 51' ' ' VAL . 33.6 t -116.57 125.71 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.662 -1.274 . . . . 2.18 110.723 -168.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -118.17 85.55 2.37 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.302 1.841 . . . . 0.81 109.977 -167.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.09 -30.86 68.4 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.296 0.57 . . . . 1.37 111.406 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.66 -28.33 66.79 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.99 1.316 . . . . 3.24 113.698 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.5 -1.92 29.62 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.448 1.022 . . . . 2.05 112.705 168.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 47.38 41.25 12.24 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.751 2.02 . . . . 2.79 111.999 -161.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 31.2 ttm -112.19 154.36 25.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.229 1.412 . . . . 0.97 111.952 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -131.67 120.93 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 125.301 1.44 . . . . 0.78 108.68 176.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.66 131.9 41.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.043 0.937 . . . . 1.01 109.175 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -132.74 107.03 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.378 1.071 . . . . 0.23 108.391 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -80.95 98.72 8.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.726 1.61 . . . . 0.54 109.031 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -152.07 153.18 33.45 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.983 1.475 . . . . 0.33 114.983 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -90.05 -4.29 57.47 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.885 1.274 . . . . 0.49 113.797 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.55 155.47 93.36 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 125.476 1.511 . . . . 0.41 112.107 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -72.8 141.5 33.84 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.199 2.599 . . . . 0.54 108.489 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -24.81 67.81 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.269 -1.519 . . . . 0.72 112.931 -177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.81 -39.42 71.3 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.82 0.848 . . . . 3.33 112.11 166.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.98 -44.85 53.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.883 0.873 . . . . 2.43 110.596 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -65.71 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 O-C-N 121.332 -0.855 . . . . 0.3 111.089 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -54.35 -48.33 71.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.719 1.145 . . . . 1.68 111.123 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.35 -22.96 58.98 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.943 1.247 . . . . 0.59 111.899 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -72.8 -46.22 54.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.05 1.34 . . . . 0.64 112.169 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.99 -42.43 99.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.14 1.776 . . . . 0.4 110.958 173.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -56.42 -28.96 60.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.301 1.44 . . . . 2.28 113.18 171.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 -1.55 19.72 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.738 1.637 . . . . 0.76 115.626 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.1 p -101.13 10.99 40.29 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.11 1.764 . . . . 0.82 113.12 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.15 14.14 54.9 Favored Glycine 0 N--CA 1.478 1.469 0 C-N-CA 125.394 1.473 . . . . 0.65 115.191 166.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -148.75 161.78 41.1 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.068 2.147 . . . . 2.23 111.931 -166.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -81.1 153.32 27.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.597 1.189 . . . . 4.87 112.462 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.36 130.86 19.91 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.742 2.817 . . . . 0.44 109.167 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.14 125.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.969 2.108 . . . . 0.52 108.421 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD12 ' H ' ' A' ' 76' ' ' LYS . 6.9 tp -74.5 145.08 43.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.031 0.919 . . . . 1.15 112.601 176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.8 mmmt -105.63 -38.15 6.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.509 1.124 . . . . 1.76 112.764 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.71 -157.65 29.69 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.061 1.791 . . . . 0.43 111.933 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -110.44 148.47 31.99 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.465 1.506 . . . . 1.19 111.203 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 CA-C-O 122.163 0.868 . . . . 2.63 114.416 -173.286 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.755 -0.538 . . . . 1.63 111.755 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 t -137.78 156.62 47.77 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.414 1.485 . . . . 0.72 111.25 170.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 126.44 30.61 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 122.734 1.255 . . . . 2.03 112.242 -161.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.74 156.32 43.07 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.665 2.386 . . . . 1.8 109.864 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 m -98.74 120.38 39.08 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.468 0.707 . . . . 0.5 109.255 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.91 125.62 42.9 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.81 0.844 . . . . 1.7 109.365 171.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.97 90.75 3.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.274 1.43 . . . . 2.46 111.349 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -97.61 146.65 25.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.202 1.001 . . . . 2.08 112.622 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.73 140.83 29.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.819 0.848 . . . . 0.56 111.269 162.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.77 157.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.679 1.192 . . . . 0.61 112.562 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -94.42 91.68 6.78 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.129 -0.982 . . . . 3.64 111.845 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -152.47 148.79 27.84 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.294 2.238 . . . . 0.92 109.097 162.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -152.03 7.44 0.46 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 116.268 1.951 . . . . 3.37 116.268 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.51 160.13 39.43 Favored 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 125.136 1.375 . . . . 1.07 114.026 172.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -62.49 -37.52 86.3 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 127.301 2.24 . . . . 2.36 116.686 -157.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.9 m -73.27 -19.13 61.12 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.309 1.413 . . . . 1.51 113.915 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.75 -31.93 28.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.968 0.907 . . . . 1.0 111.58 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.39 -53.27 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.503 1.921 . . . . 0.82 110.324 172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -39.61 78.76 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.275 1.03 . . . . 3.05 111.077 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.87 -40.49 79.25 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.493 -0.755 . . . . 0.66 112.4 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.63 -41.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 O-C-N 121.49 -0.756 . . . . 0.77 109.359 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -56.54 -38.4 71.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.819 1.248 . . . . 2.91 112.085 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.334 67.5 mttt -89.62 -18.3 26.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.599 1.704 . . . . 2.07 115.599 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.5 t -70.53 -34.7 72.57 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.595 0.634 . . . . 1.64 112.144 156.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.06 -37.1 72.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.469 1.508 . . . . 1.23 113.794 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.32 128.0 34.77 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 122.167 0.984 . . . . 1.52 111.764 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 22.97 72.12 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 114.58 -1.191 . . . . 1.18 115.311 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.96 135.42 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 119.805 1.803 . . . . 1.58 110.155 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 113.2 3.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.066 -0.97 . . . . 1.8 110.222 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.27 6.82 53.07 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.757 1.17 . . . . 0.85 114.827 -175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.18 146.36 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.203 2.002 . . . . 1.69 112.144 174.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -105.35 -46.9 4.09 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.991 1.716 . . . . 3.46 112.637 165.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -148.94 158.2 44.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.148 1.379 . . . . 2.48 110.005 -173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -143.71 155.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.797 1.639 . . . . 0.93 111.913 171.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -144.24 142.5 30.52 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.528 1.531 . . . . 4.09 110.006 164.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 t -108.9 136.23 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.802 0.81 . . . . 1.56 111.036 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -117.54 84.22 2.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.436 1.094 . . . . 0.73 109.643 170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.71 -34.77 67.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.14 0.976 . . . . 1.27 110.836 170.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.77 -30.06 60.64 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.93 1.692 . . . . 3.73 113.753 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.94 -9.07 17.28 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.344 1.457 . . . . 2.25 112.825 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 50.6 37.63 16.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.774 1.629 . . . . 3.76 113.088 -157.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 28.0 ttm -113.17 155.26 25.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.391 1.476 . . . . 0.91 111.793 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.99 133.99 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 125.211 1.405 . . . . 0.75 110.571 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 128.31 53.7 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 125.572 1.549 . . . . 0.96 109.33 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 t -133.51 106.21 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 124.644 1.178 . . . . 0.28 107.946 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -85.64 99.07 11.04 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.384 1.474 . . . . 0.58 108.652 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.31 153.91 35.73 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.445 1.276 . . . . 0.32 114.445 -163.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.8 p -84.08 -6.35 59.39 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.087 1.355 . . . . 0.45 113.938 171.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.54 150.68 89.16 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 124.49 1.116 . . . . 0.61 112.547 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -72.6 142.99 37.2 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.878 2.385 . . . . 0.84 108.233 166.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -58.37 -17.88 23.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.85 1.055 . . . . 1.12 113.85 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -58.17 -34.83 70.74 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.338 1.055 . . . . 3.05 113.314 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -84.18 -45.07 13.32 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.039 0.836 . . . . 4.81 111.26 171.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.07 -37.57 79.75 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 CA-C-O 118.44 -0.79 . . . . 0.3 110.558 -173.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -56.89 -42.3 79.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.38 0.991 . . . . 1.86 112.126 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.248 0.619 . . . . 0.52 111.654 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.5 mt -71.6 -43.73 65.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.287 1.835 . . . . 0.87 111.485 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.12 -45.81 91.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.616 1.966 . . . . 0.46 111.16 169.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -24.53 62.65 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.552 1.141 . . . . 2.66 113.265 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.37 -12.46 51.25 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.442 1.496 . . . . 0.58 114.813 170.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -83.54 4.66 27.11 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.581 1.19 . . . . 0.65 113.072 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.98 25.32 56.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.945 1.26 . . . . 0.62 114.869 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -138.86 159.57 41.81 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.378 2.271 . . . . 2.63 110.401 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -67.93 149.64 49.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.092 0.948 . . . . 3.01 111.692 164.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.79 122.56 8.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.98 2.512 . . . . 0.59 109.562 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.3 t -140.02 124.33 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.472 1.509 . . . . 0.72 108.913 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' ' 76' ' ' LYS . 12.3 tp -75.86 140.72 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.469 -0.769 . . . . 1.18 112.444 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 75' ' ' LEU . 74.6 mmtt -109.46 -31.58 7.46 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.948 1.299 . . . . 2.57 113.53 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.0 -163.68 34.95 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.834 1.683 . . . . 0.51 111.592 165.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -101.56 148.05 25.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.22 1.408 . . . . 1.19 112.014 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 C-N-CA 126.354 1.931 . . . . 2.25 115.164 -171.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 121.673 0.596 . . . . 1.98 113.771 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -135.33 148.03 49.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.026 1.33 . . . . 1.07 113.171 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 129.4 39.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.482 1.513 . . . . 1.95 111.467 -168.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.0 m -149.32 143.43 25.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.873 2.069 . . . . 2.07 110.875 -174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.8 m -77.3 116.87 18.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.553 1.141 . . . . 0.67 110.741 166.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -104.95 131.79 52.01 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.435 1.094 . . . . 1.62 109.719 170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -105.14 105.43 15.47 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.37 1.468 . . . . 2.11 110.894 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 71.6 m-85 -105.87 139.7 40.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.054 -1.029 . . . . 1.77 113.079 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.36 121.96 37.57 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.363 1.465 . . . . 0.45 109.451 164.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.99 143.1 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.386 1.474 . . . . 0.89 110.697 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -81.25 93.03 6.43 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.547 -0.721 . . . . 4.7 111.489 -173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -147.84 148.04 30.44 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.267 1.427 . . . . 0.71 112.631 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 t -150.93 -1.91 0.35 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.225 1.935 . . . . 2.99 116.225 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 160.51 25.43 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 120.517 1.508 . . . . 1.2 114.203 168.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -63.35 -23.11 67.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.28 1.585 . . . . 2.3 115.28 -162.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.1 m -79.75 -17.68 52.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.416 1.486 . . . . 1.23 114.366 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.5 m -81.23 -45.03 16.9 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.678 0.791 . . . . 0.9 110.331 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -45.26 -55.74 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 127.656 2.382 . . . . 0.79 110.963 175.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.21 -35.89 81.81 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.83 0.852 . . . . 2.38 112.332 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.99 51.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.487 0.315 . . . . 0.51 111.658 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.03 -35.8 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-O 117.791 -1.1 . . . . 0.57 110.856 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -58.97 -41.79 88.35 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 120.348 1.431 . . . . 3.28 111.076 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -76.99 -21.38 54.79 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.121 1.156 . . . . 1.27 114.121 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -74.88 2.49 10.16 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.242 1.201 . . . . 1.4 114.242 164.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 mt -118.08 -35.67 3.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.15 1.78 . . . . 0.84 111.699 172.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -61.17 126.05 25.97 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.7 1.2 . . . . 1.62 111.51 -177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.68 8.94 57.93 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.325 1.44 . . . . 1.33 115.977 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.0 t -78.08 129.76 37.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.902 1.851 . . . . 1.41 109.958 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.2 118.3 6.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.458 1.103 . . . . 1.04 111.035 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.9 -1.47 55.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.68 1.609 . . . . 0.63 114.392 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.3 130.94 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.61 1.705 . . . . 1.85 110.026 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -106.57 -43.48 4.72 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.504 1.122 . . . . 3.87 113.574 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -146.38 160.26 42.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.078 1.351 . . . . 3.01 110.163 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.84 158.64 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.314 1.846 . . . . 0.91 112.416 176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.52 121.23 8.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.034 0.933 . . . . 2.74 110.5 165.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG22 HG13 ' A' ' 51' ' ' VAL . 24.6 t -97.34 136.16 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 121.112 -0.993 . . . . 1.59 111.732 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -120.98 95.58 4.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.315 1.446 . . . . 0.79 110.352 170.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.7 -34.39 78.09 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.059 0.943 . . . . 1.42 111.781 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.9 -30.39 70.53 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.022 1.329 . . . . 4.6 113.798 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -90.34 -8.56 50.49 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.265 1.026 . . . . 3.7 112.95 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 50.04 39.33 18.81 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.528 1.531 . . . . 2.31 112.258 -163.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.2 ttm -125.34 151.26 46.29 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.406 1.482 . . . . 1.0 112.025 -169.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 44' ' ' VAL . 5.8 t -137.29 128.64 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 124.369 1.068 . . . . 0.94 111.317 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.57 131.39 37.03 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.58 1.552 . . . . 1.04 109.265 168.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -133.74 108.16 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 107.997 -1.112 . . . . 0.36 107.997 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -88.51 98.56 11.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.315 1.046 . . . . 0.82 108.581 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -147.69 152.37 37.69 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.192 1.182 . . . . 0.53 114.192 -165.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -85.54 -15.18 43.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.097 1.359 . . . . 0.67 113.699 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -70.11 154.46 94.57 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.644 1.578 . . . . 0.64 112.091 -175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -70.26 144.77 52.34 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.087 2.524 . . . . 0.53 109.317 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -24.15 66.65 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.232 -0.918 . . . . 0.99 113.457 -173.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -67.77 -32.44 73.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.243 1.017 . . . . 2.3 112.895 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -72.99 -42.67 63.03 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.307 1.043 . . . . 2.39 110.119 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.69 -40.29 81.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 124.275 1.03 . . . . 0.36 110.999 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -55.02 -45.72 75.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.042 0.837 . . . . 2.13 110.918 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.13 -27.03 48.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.192 0.451 . . . . 0.76 111.532 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.97 -45.42 89.16 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.533 -0.73 . . . . 0.74 111.99 169.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -64.95 -40.74 95.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.705 2.002 . . . . 0.38 111.316 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.45 -33.72 76.19 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.356 -0.84 . . . . 2.06 113.086 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.91 -3.4 22.12 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.913 1.244 . . . . 0.55 115.05 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -78.99 -7.72 58.31 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.341 1.07 . . . . 0.73 112.16 167.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.71 27.3 8.53 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.16 1.362 . . . . 0.73 114.852 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -148.16 172.51 14.19 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.749 2.02 . . . . 3.12 111.206 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -78.28 155.34 30.27 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 122.374 1.083 . . . . 3.24 112.107 169.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' H ' ' NE2' ' A' ' 72' ' ' GLN . . . -151.47 133.73 15.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.121 2.568 . . . . 0.46 111.207 -175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.2 t -139.73 131.78 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 126.246 1.818 . . . . 0.86 108.828 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 2.2 tm? -80.58 133.17 35.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 122.213 1.006 . . . . 2.58 110.239 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -100.61 -23.58 14.64 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.326 1.45 . . . . 2.79 113.079 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.3 -170.84 31.58 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.965 1.745 . . . . 0.6 112.619 167.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -103.44 120.37 40.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.716 1.206 . . . . 1.22 111.307 -174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 C-N-CA 124.588 1.089 . . . . 2.52 114.254 -173.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 114.199 0.44 . . . . 2.08 114.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.2 t -134.43 151.95 51.5 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.291 1.836 . . . . 0.88 111.262 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.06 125.78 25.58 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.825 0.85 . . . . 1.99 111.26 -169.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.0 m -152.26 155.27 37.39 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.354 2.661 . . . . 1.67 110.542 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -88.03 123.32 32.61 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 0.43 110.5 169.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.79 134.14 45.44 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.298 1.439 . . . . 1.75 109.354 167.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -117.53 95.27 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.666 1.187 . . . . 2.31 110.889 -176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 67.7 m-85 -100.94 131.92 46.59 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.902 0.881 . . . . 1.52 112.412 -175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.09 142.92 37.8 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.161 -0.927 . . . . 0.41 110.794 166.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.14 169.62 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.577 1.551 . . . . 0.87 112.058 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -108.34 90.8 3.41 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.059 -1.026 . . . . 2.96 111.611 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -158.45 147.82 19.33 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.494 1.118 . . . . 0.9 112.088 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' HD21 ' A' ' 46' ' ' LEU . 2.0 t -150.59 6.34 0.54 Allowed 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.998 1.851 . . . . 3.8 115.998 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.28 151.66 49.69 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.44 1.096 . . . . 1.19 112.984 163.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.01 -28.62 70.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.567 1.691 . . . . 3.0 115.567 -155.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -58.53 -35.68 72.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.86 0.755 . . . . 1.16 112.606 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.1 m -74.56 -37.79 62.88 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.188 1.395 . . . . 0.67 111.593 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG12 HG11 ' A' ' 44' ' ' VAL . 2.4 t -58.34 -53.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 128.791 2.836 . . . . 0.86 109.464 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -61.08 -35.63 77.49 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.833 0.853 . . . . 2.16 111.664 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.52 -39.14 62.57 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.571 -0.705 . . . . 0.54 112.645 -174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -73.38 -37.22 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 123.353 0.661 . . . . 0.62 109.802 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -57.91 -32.99 68.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.101 0.96 . . . . 4.85 111.839 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -84.34 -18.81 35.04 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.272 1.582 . . . . 1.19 115.272 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB2' HG22 ' A' ' 69' ' ' THR . 41.1 t -62.83 -41.18 99.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.476 0.58 . . . . 1.26 111.452 158.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.63 -36.5 57.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.4 1.48 . . . . 0.63 113.024 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.37 123.85 21.1 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.839 0.856 . . . . 1.69 110.843 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.51 3.77 80.88 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 126.439 1.971 . . . . 0.84 116.815 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.95 127.9 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 119.947 1.873 . . . . 0.91 109.614 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.9 108.59 1.82 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.773 0.829 . . . . 1.02 110.289 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.92 10.02 33.36 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.863 1.697 . . . . 0.61 115.461 -170.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.37 145.43 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.912 1.856 . . . . 1.68 110.675 162.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -99.92 -49.99 4.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.069 1.348 . . . . 2.88 110.824 163.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -157.38 168.3 27.74 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.889 1.676 . . . . 1.7 111.729 -168.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -144.96 156.06 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 127.228 2.211 . . . . 0.81 111.82 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -148.0 120.8 8.68 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.669 1.188 . . . . 2.93 109.239 166.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 HG12 ' A' ' 26' ' ' VAL . 7.9 p -99.93 138.61 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.486 -1.384 . . . . 2.03 110.731 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -119.81 97.7 5.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 122.489 1.138 . . . . 0.74 110.151 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 26' ' ' VAL . 2.8 tm? -68.17 -34.06 75.6 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.972 1.709 . . . . 1.59 111.738 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.45 -10.31 58.79 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.935 1.694 . . . . 2.77 114.214 175.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -118.05 -4.81 11.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.511 1.924 . . . . 2.71 112.775 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 43.78 52.35 6.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.529 1.932 . . . . 2.56 112.104 -165.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 tpp -133.1 153.84 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.655 1.582 . . . . 1.85 110.865 -169.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.73 123.22 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.893 1.277 . . . . 0.65 111.769 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.96 133.02 34.03 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.172 1.389 . . . . 1.12 109.96 166.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.1 109.17 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 125.304 1.441 . . . . 0.33 108.38 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -90.93 99.14 12.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.526 1.131 . . . . 0.58 108.483 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -151.35 154.29 36.41 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.847 1.425 . . . . 0.32 114.847 -164.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.9 p -83.89 -13.6 53.16 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.581 1.552 . . . . 0.63 113.633 171.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.88 151.64 96.67 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.743 0.817 . . . . 0.51 112.113 -174.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.92 143.08 44.31 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.413 2.075 . . . . 0.57 108.428 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -22.69 65.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.953 -1.092 . . . . 0.81 113.501 -173.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.89 -40.62 89.35 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.516 1.126 . . . . 2.39 112.417 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -71.69 -42.63 67.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.506 1.122 . . . . 2.61 110.251 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.67 -39.39 78.09 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 125.033 1.333 . . . . 0.37 111.023 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -54.07 -47.39 71.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.154 0.888 . . . . 1.64 110.782 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.78 -25.31 56.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.005 0.82 . . . . 0.5 111.417 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.78 -38.48 73.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.539 1.135 . . . . 0.7 113.633 172.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.7 mt -69.78 -45.47 67.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.878 1.671 . . . . 0.41 110.631 171.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.03 -32.02 69.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.327 1.051 . . . . 2.37 112.82 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.19 -7.74 33.17 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 125.58 1.562 . . . . 0.59 115.241 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 32' ' ' SER . 40.5 p -75.84 -4.84 42.97 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 119.177 1.489 . . . . 0.7 112.19 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.39 58.55 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.371 1.463 . . . . 0.82 114.521 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -143.45 173.62 11.47 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 128.476 2.71 . . . . 2.85 110.436 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -80.7 150.35 29.38 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.898 1.444 . . . . 3.34 114.898 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.01 135.42 25.81 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 129.455 3.102 . . . . 0.61 109.091 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -139.87 126.96 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.612 1.965 . . . . 0.56 108.827 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -78.58 137.04 37.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.162 0.982 . . . . 1.15 112.645 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' H ' HD12 ' A' ' 75' ' ' LEU . 73.5 mmtt -104.77 -32.96 8.6 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.475 -1.239 . . . . 1.96 113.363 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.69 -167.1 38.33 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 124.667 1.127 . . . . 0.45 113.563 160.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -103.54 83.74 2.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.429 1.892 . . . . 1.93 110.041 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.446 0 N-CA-C 116.492 1.357 . . . . 3.53 116.492 170.332 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 CA-C-O 121.243 0.357 . . . . 2.06 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.7 t -129.64 146.5 51.42 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.905 1.282 . . . . 0.88 113.127 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 134.29 50.56 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.197 1.399 . . . . 2.03 111.086 -163.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -153.72 160.67 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.231 1.813 . . . . 2.43 111.099 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 m -80.01 134.33 36.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.907 0.883 . . . . 0.62 110.778 167.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.41 140.41 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.219 1.407 . . . . 2.6 111.406 165.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -117.78 84.7 2.21 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.292 1.437 . . . . 2.0 111.766 -167.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' HB2' HG23 ' A' ' 51' ' ' VAL . 57.7 m-85 -99.49 159.59 14.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.097 0.959 . . . . 1.58 112.029 -174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.13 131.48 54.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.657 1.983 . . . . 0.46 111.73 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG13 HG21 ' A' ' 51' ' ' VAL . 16.0 m -132.71 154.75 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 120.497 -1.377 . . . . 0.63 113.01 -169.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -92.99 93.3 8.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.278 0.631 . . . . 3.26 111.403 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.4 162.23 39.42 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.806 1.642 . . . . 1.09 113.46 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -141.0 -16.53 0.86 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 117.406 2.372 . . . . 3.41 117.406 -169.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.0 p -139.02 166.29 24.88 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 121.811 2.096 . . . . 1.01 115.284 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -71.02 -22.65 62.12 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.74 2.126 . . . . 4.24 116.74 -153.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.2 m -76.37 -30.57 57.62 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 120.871 -1.143 . . . . 2.23 112.49 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.0 m -71.62 -31.91 67.41 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 119.244 0.929 . . . . 1.46 111.599 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -47.89 -53.68 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 127.646 2.379 . . . . 0.67 110.257 165.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -28.11 66.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 118.694 -0.669 . . . . 3.71 112.599 175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.94 82.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.496 1.044 . . . . 0.53 111.867 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.7 t -75.71 -34.25 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 123.995 0.918 . . . . 0.74 110.756 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -61.58 -36.68 81.34 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.642 1.11 . . . . 3.29 111.224 168.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -79.57 -20.43 47.0 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.56 1.319 . . . . 1.07 114.56 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -71.18 -8.35 52.96 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.591 0.96 . . . . 1.29 113.591 163.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.2 mt -107.69 -21.85 12.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.378 1.871 . . . . 0.7 112.736 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -77.56 134.11 38.34 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.473 1.109 . . . . 1.48 111.313 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.81 24.29 75.6 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.037 0.827 . . . . 1.31 114.576 -174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.27 119.36 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.98 1.39 . . . . 0.87 110.53 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.04 122.05 15.62 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.824 -0.548 . . . . 1.01 111.378 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.72 -3.16 49.15 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 126.186 1.85 . . . . 0.51 114.147 -171.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.29 129.94 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.451 1.626 . . . . 2.07 109.571 170.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -99.6 -50.46 4.06 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.66 1.184 . . . . 3.76 112.176 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -148.57 164.81 33.12 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 125.692 1.597 . . . . 2.26 109.899 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.33 157.42 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 125.797 1.639 . . . . 0.8 110.5 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -146.59 129.49 16.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.801 0.84 . . . . 2.64 109.843 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 51' ' ' VAL . 92.8 t -127.52 126.67 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.648 -1.282 . . . . 1.88 109.873 -170.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -122.67 92.05 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.747 2.019 . . . . 1.15 109.983 -173.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -36.68 66.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.7 0.8 . . . . 2.03 111.706 170.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.35 -3.91 9.48 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.556 1.317 . . . . 2.92 114.556 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.88 -3.94 9.14 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.848 1.659 . . . . 1.99 113.376 160.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 46.44 32.79 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.076 2.15 . . . . 2.58 113.477 -157.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ttm -97.79 145.09 26.73 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.028 1.331 . . . . 1.05 111.918 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -124.87 111.59 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 128.29 2.636 . . . . 2.03 109.519 177.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.11 135.48 37.84 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 124.496 1.118 . . . . 2.68 110.615 172.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.7 t -134.71 107.95 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.542 -1.208 . . . . 0.37 108.145 -176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.13 99.11 10.28 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.742 1.217 . . . . 0.5 108.687 173.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -148.91 150.19 32.52 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.795 1.406 . . . . 0.38 114.795 -165.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.0 p -86.33 -8.83 57.39 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.324 1.85 . . . . 0.7 113.106 171.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.13 157.65 86.56 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.234 1.814 . . . . 0.47 111.919 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -78.53 144.17 19.79 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.325 2.683 . . . . 0.5 109.489 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -29.64 64.49 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.732 -1.23 . . . . 0.73 113.216 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.17 -35.22 66.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.313 1.845 . . . . 2.97 113.125 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -82.62 -42.07 18.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.314 1.846 . . . . 2.38 111.228 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.03 -36.99 78.47 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 C-N-CA 124.807 1.243 . . . . 0.32 111.019 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -56.94 -41.82 78.93 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.184 0.902 . . . . 1.94 111.359 175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.65 -27.77 51.08 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.034 0.834 . . . . 0.49 111.361 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.1 -38.41 85.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.319 1.048 . . . . 0.59 112.621 171.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -71.06 -45.24 64.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.558 1.943 . . . . 0.44 111.458 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.47 73.87 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.079 0.952 . . . . 2.22 112.95 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.49 -15.97 13.86 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 125.35 1.452 . . . . 0.68 115.758 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.06 -6.66 23.87 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.672 1.589 . . . . 0.77 112.411 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.71 18.13 52.48 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.368 1.937 . . . . 0.6 113.23 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -134.72 165.08 26.09 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 127.489 2.316 . . . . 3.06 109.464 -168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 153.5 34.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.235 1.017 . . . . 2.92 111.977 168.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.32 111.27 4.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.904 2.482 . . . . 0.6 108.458 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.39 126.96 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 C-N-CA 126.615 1.966 . . . . 0.73 108.27 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.8 tp -79.6 138.74 37.54 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.384 -0.822 . . . . 1.09 112.86 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.608 ' H ' HD12 ' A' ' 75' ' ' LEU . 14.4 mmmm -103.04 -37.43 7.77 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.307 1.443 . . . . 2.39 112.83 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.89 -171.79 43.51 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.666 2.079 . . . . 0.55 112.635 166.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -84.35 156.73 21.73 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.099 1.36 . . . . 1.32 109.856 168.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 115.807 1.083 . . . . 2.43 115.807 -170.538 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.15 0 CA-C-O 121.742 0.635 . . . . 2.01 114.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -137.92 152.73 49.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.837 1.655 . . . . 0.94 111.849 -170.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -73.99 134.53 43.09 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.147 0.975 . . . . 2.26 112.78 -162.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 m -146.48 156.45 43.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.379 2.272 . . . . 1.81 109.668 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -101.24 120.33 40.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.974 0.909 . . . . 0.54 109.243 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -103.87 123.88 47.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.35 1.06 . . . . 1.72 109.574 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -102.82 90.54 3.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.565 1.546 . . . . 1.99 111.637 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -97.08 142.07 29.45 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.458 -0.776 . . . . 2.05 111.872 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.75 142.5 28.1 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.291 1.036 . . . . 0.36 111.231 164.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -140.18 164.35 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.131 1.372 . . . . 0.93 110.701 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -107.72 95.72 5.89 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.597 -0.689 . . . . 4.77 110.697 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -150.92 144.5 25.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.649 1.18 . . . . 0.65 111.924 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.2 p -125.72 -21.57 4.4 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 115.761 1.764 . . . . 2.66 115.761 -176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.44 163.53 14.33 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 119.893 1.224 . . . . 1.26 113.632 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -65.27 -16.42 63.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.537 1.535 . . . . 1.9 114.291 -173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 m -85.89 -14.39 45.0 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.599 1.333 . . . . 1.23 114.599 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.75 -50.01 10.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.986 0.812 . . . . 1.07 110.225 171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -54.0 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 127.985 2.514 . . . . 0.82 111.412 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.9 -38.79 86.93 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.949 1.3 . . . . 2.6 112.29 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.17 58.46 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.185 0.439 . . . . 0.61 112.185 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.08 -26.9 30.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 O-C-N 121.053 -1.029 . . . . 0.81 111.442 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -63.81 -45.46 89.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.568 1.077 . . . . 2.68 111.287 166.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -75.25 -22.93 57.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.927 1.455 . . . . 1.39 114.927 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -61.33 -27.81 68.76 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.759 0.823 . . . . 1.05 112.938 166.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.41 -34.92 13.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.869 1.667 . . . . 0.8 112.444 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -68.57 127.55 33.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.545 1.538 . . . . 2.05 110.658 -169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.11 8.83 86.98 Favored Glycine 0 CA--C 1.537 1.457 0 N-CA-C 116.304 1.282 . . . . 0.95 116.304 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.52 132.46 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 119.337 1.569 . . . . 0.99 110.015 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 116.95 3.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.573 0.749 . . . . 1.01 111.369 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.11 1.34 44.93 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 126.386 1.946 . . . . 0.56 115.722 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.16 140.95 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.979 1.889 . . . . 1.71 111.246 171.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.44 -44.34 3.92 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.342 1.057 . . . . 3.23 113.708 169.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.19 163.28 39.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.035 1.734 . . . . 2.24 109.191 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.7 m -145.37 152.99 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.672 1.989 . . . . 0.95 110.351 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -152.42 130.26 11.69 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.362 -0.836 . . . . 2.78 110.763 165.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -108.27 126.01 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 120.539 -1.35 . . . . 2.02 111.151 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -107.72 87.66 2.55 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.693 1.197 . . . . 0.74 110.0 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -54.43 -37.43 65.13 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.398 0.679 . . . . 1.87 111.451 168.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.6 -3.28 2.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.286 1.587 . . . . 3.02 115.286 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.09 -1.79 8.73 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.007 1.323 . . . . 1.94 114.168 160.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 48.83 42.54 20.25 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.492 1.917 . . . . 3.41 112.178 -158.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.9 ttm -118.75 151.92 37.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.013 1.325 . . . . 0.9 111.967 -175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.54 129.28 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 124.967 1.307 . . . . 0.65 110.355 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.5 132.16 46.03 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.58 1.952 . . . . 0.94 109.964 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 111.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.228 -1.397 . . . . 0.23 107.228 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -93.7 97.94 10.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.641 1.176 . . . . 0.76 108.035 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -153.35 156.27 38.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.434 1.642 . . . . 0.43 115.434 -162.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.439 HG23 HD12 ' A' ' 11' ' ' LEU . 72.8 p -85.21 -6.72 59.26 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.99 1.716 . . . . 0.57 113.841 171.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.65 146.76 86.23 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.14 0.976 . . . . 0.61 111.54 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.03 145.78 62.5 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.056 2.504 . . . . 0.49 108.952 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -21.61 63.98 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 120.188 -1.57 . . . . 0.66 113.679 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -54.41 -43.15 71.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.996 1.319 . . . . 2.79 111.735 165.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -76.42 -42.17 45.09 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.538 1.535 . . . . 2.56 111.074 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -70.53 -36.66 66.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 124.32 1.048 . . . . 0.44 111.137 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.51 -45.06 81.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.953 1.251 . . . . 1.87 110.887 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.91 -23.17 55.49 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.824 1.193 . . . . 0.46 111.712 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.42 -39.84 74.2 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.111 0.964 . . . . 0.7 113.045 169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -71.29 -40.68 70.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.168 1.787 . . . . 0.47 111.499 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.24 -32.92 74.84 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.007 1.323 . . . . 1.99 112.573 171.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.93 -1.82 5.68 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.509 1.528 . . . . 0.63 114.791 169.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.5 p -88.86 -7.21 56.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.659 1.184 . . . . 0.69 112.15 169.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.94 13.97 38.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 115.924 1.13 . . . . 0.65 115.924 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -144.13 173.25 11.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.004 1.722 . . . . 3.05 111.946 -171.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -66.69 138.67 57.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.468 1.507 . . . . 4.83 111.764 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 114.56 6.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.523 2.329 . . . . 0.56 110.187 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -130.12 126.36 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.744 1.618 . . . . 0.53 109.086 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.4 tp -76.15 136.27 39.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.267 -0.895 . . . . 1.18 112.237 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 75' ' ' LEU . 29.6 mmmt -103.63 -31.87 9.69 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.913 -1.494 . . . . 1.5 112.171 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.48 -161.94 32.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 125.957 1.741 . . . . 0.56 111.529 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -111.0 150.39 29.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.117 1.367 . . . . 1.34 111.416 -172.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 123.945 0.783 . . . . 2.96 112.352 167.048 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.842 0 CA-C-O 122.807 1.226 . . . . 1.46 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -137.93 152.5 49.04 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 126.484 1.914 . . . . 1.04 111.189 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 127.21 31.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.194 0.598 . . . . 1.98 110.419 -168.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.0 m -152.68 156.4 39.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 127.282 2.233 . . . . 1.68 110.233 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -96.32 110.82 23.08 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.975 1.31 . . . . 0.81 111.165 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -86.16 125.83 33.8 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.515 1.126 . . . . 1.9 109.53 171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -104.16 98.08 7.95 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.857 1.263 . . . . 2.03 111.587 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -99.26 143.72 29.2 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.212 -0.93 . . . . 2.15 112.28 -177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.83 141.36 28.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.361 1.064 . . . . 0.36 111.448 164.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.08 169.63 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 126.155 1.782 . . . . 1.04 110.71 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -108.97 94.77 5.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.47 0.577 . . . . 3.16 112.192 165.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -149.67 144.5 26.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.793 1.637 . . . . 0.88 109.973 164.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -151.41 0.81 0.38 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 116.215 1.932 . . . . 3.6 116.215 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.06 153.74 20.52 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.396 1.078 . . . . 1.1 112.884 166.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -64.9 -16.69 63.56 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.074 1.509 . . . . 1.91 115.074 -169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -77.88 -28.72 49.99 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.393 0.997 . . . . 1.11 113.663 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 83.3 m -82.99 -34.69 26.3 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.862 0.865 . . . . 0.75 110.882 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -46.4 -55.1 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 126.768 2.027 . . . . 0.81 109.553 168.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.18 -42.62 99.4 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.331 1.052 . . . . 2.32 112.102 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.39 79.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.07 0.462 . . . . 0.4 111.684 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.63 -41.34 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 125.008 1.323 . . . . 0.76 110.528 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -51.81 -42.85 62.82 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.139 0.975 . . . . 3.3 111.203 168.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -81.85 -19.4 41.1 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.898 1.444 . . . . 1.05 114.898 -169.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.6 t -61.21 -40.55 94.39 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.69 0.677 . . . . 0.95 111.357 164.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -73.87 -37.09 64.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.031 1.332 . . . . 0.61 112.59 -177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.31 124.44 29.35 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.444 0.698 . . . . 3.28 110.748 -165.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.47 7.06 67.55 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.544 1.545 . . . . 0.78 116.02 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.92 136.98 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 119.984 1.892 . . . . 0.92 110.937 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 110.19 1.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.676 1.591 . . . . 0.97 112.411 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.93 3.74 57.97 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.754 1.169 . . . . 0.55 114.685 -176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -92.27 136.19 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 118.781 1.29 . . . . 1.97 109.173 164.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.0 -52.89 3.42 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.513 1.125 . . . . 3.06 111.43 169.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -146.96 164.75 31.94 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.795 1.238 . . . . 2.17 111.203 -168.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -141.3 160.27 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.466 1.907 . . . . 0.85 111.362 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -152.59 129.54 11.02 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.191 -0.943 . . . . 2.74 109.88 162.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HG13 ' A' ' 51' ' ' VAL . 17.6 t -105.64 130.13 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.044 -1.035 . . . . 1.52 111.949 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -113.94 86.49 2.42 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.937 1.295 . . . . 1.03 110.653 173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.11 -34.35 73.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.883 1.273 . . . . 1.3 111.312 174.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.31 -10.7 53.54 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.755 1.391 . . . . 2.82 114.755 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.94 -8.22 11.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.102 1.361 . . . . 2.12 113.219 167.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 49.64 52.85 13.77 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.393 1.477 . . . . 3.73 111.146 -158.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttm -123.99 150.42 44.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.929 1.292 . . . . 0.87 111.516 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 44' ' ' VAL . 4.2 t -133.99 131.85 56.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.726 1.211 . . . . 0.7 111.488 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -100.54 134.28 43.73 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 125.966 1.706 . . . . 0.96 109.964 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -132.01 113.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 125.031 1.332 . . . . 0.38 108.393 176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -90.14 98.73 11.94 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.495 1.518 . . . . 0.64 108.142 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -152.49 154.62 35.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.183 1.179 . . . . 0.32 114.183 -166.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.5 p -85.77 -16.32 39.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.7 1.0 . . . . 0.57 113.7 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.21 156.87 7.02 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 126.407 1.883 . . . . 0.54 112.446 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.6 139.51 37.46 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.103 1.868 . . . . 0.62 107.614 171.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.35 -23.78 66.98 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.69 -1.256 . . . . 1.22 112.296 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -48.88 -45.18 40.73 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.392 2.277 . . . . 2.98 112.973 165.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -76.77 -41.53 44.37 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.022 1.329 . . . . 2.61 110.859 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.5 -37.19 77.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 124.442 1.097 . . . . 0.41 110.595 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -53.71 -46.23 70.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.127 0.971 . . . . 1.73 111.242 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.52 41.09 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.019 0.372 . . . . 0.54 111.334 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.96 -40.71 83.17 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.507 1.123 . . . . 0.65 113.109 168.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.94 -44.58 80.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.078 1.751 . . . . 0.4 110.82 170.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.88 -27.88 69.65 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.824 -1.172 . . . . 2.2 113.11 175.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.24 -2.0 2.64 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.208 1.385 . . . . 0.73 115.426 168.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.1 p -91.76 11.01 26.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.931 1.692 . . . . 0.9 112.872 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.92 9.52 62.34 Favored Glycine 0 N--CA 1.475 1.295 0 C-N-CA 124.81 1.195 . . . . 0.65 114.737 168.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -147.58 167.65 23.99 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 127.965 2.506 . . . . 2.68 112.007 -166.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.07 150.45 45.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.769 1.271 . . . . 2.98 112.232 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.37 127.09 13.39 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 128.634 2.774 . . . . 0.6 108.62 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -136.1 127.65 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 127.227 2.211 . . . . 0.61 108.219 -175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 76' ' ' LYS . 5.7 tp -79.39 137.99 37.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.08 -1.013 . . . . 1.13 111.498 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' H ' HD12 ' A' ' 75' ' ' LEU . 12.3 mmmm -101.62 -33.02 10.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.816 -1.538 . . . . 1.84 112.264 177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.72 -172.48 29.66 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 126.753 2.121 . . . . 0.68 111.061 170.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -91.3 128.54 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.401 1.08 . . . . 2.33 111.898 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 126.695 2.093 . . . . 2.35 111.017 174.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.285 0 N-CA-C 110.496 -1.042 . . . . 1.83 110.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.4 t -136.57 152.91 51.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.762 2.025 . . . . 0.83 111.933 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 122.02 18.8 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.133 0.573 . . . . 1.9 111.827 -164.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -150.49 156.15 40.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 129.563 3.145 . . . . 1.94 110.352 -172.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.3 m -98.87 120.08 38.71 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 121.266 -0.896 . . . . 0.56 111.126 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.07 131.84 40.62 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.482 1.513 . . . . 1.66 109.172 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.08 98.45 7.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.755 1.222 . . . . 2.74 111.489 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -98.54 147.15 25.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.216 -0.927 . . . . 2.11 112.493 -175.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 126.68 37.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.811 1.644 . . . . 0.54 111.355 168.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.26 137.81 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.092 0.957 . . . . 1.05 113.295 -172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -79.53 94.66 5.66 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.981 -1.075 . . . . 3.09 112.369 -174.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -139.38 153.24 47.62 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.255 1.422 . . . . 0.69 113.017 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.26 -25.81 1.52 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 118.43 2.752 . . . . 3.53 118.43 -160.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.93 172.63 12.6 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 120.909 1.686 . . . . 1.15 113.219 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -54.46 -29.7 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.657 1.983 . . . . 2.8 115.641 -167.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 m -72.63 -29.37 63.41 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.051 1.34 . . . . 1.2 113.837 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 75.7 m -78.06 -36.45 48.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.45 1.1 . . . . 0.85 110.707 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -54.57 -51.7 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.663 1.985 . . . . 0.94 109.82 174.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.52 -39.56 88.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.886 0.874 . . . . 2.37 111.234 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.61 -38.91 67.64 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.557 0.577 . . . . 0.52 112.557 -174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.59 -35.31 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 118.471 -0.776 . . . . 0.76 110.216 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.439 1.018 . . . . 3.05 110.894 168.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.78 -18.23 58.56 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.069 1.137 . . . . 1.07 114.069 -172.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -65.22 -29.93 70.78 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.106 0.78 . . . . 1.09 113.106 166.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -87.43 -36.25 17.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.897 1.679 . . . . 0.62 112.409 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -70.55 124.53 24.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.552 1.541 . . . . 1.76 110.39 -171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 17.83 66.17 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-O 118.536 -1.147 . . . . 0.96 115.515 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.1 t -90.84 133.36 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 CA-C-N 120.435 2.118 . . . . 0.84 109.2 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.52 122.59 18.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.965 0.906 . . . . 1.13 111.403 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 8.23 65.64 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.57 1.081 . . . . 0.7 113.879 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.86 103.46 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.237 1.415 . . . . 2.12 107.831 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -82.03 -42.3 19.48 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.951 0.9 . . . . 3.97 112.14 -174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -147.71 163.86 35.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.544 1.164 . . . . 1.74 111.697 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.5 155.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.507 1.923 . . . . 0.83 111.274 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.91 135.21 16.93 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.343 0.657 . . . . 2.76 111.323 162.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.57 137.59 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.626 0.771 . . . . 1.52 111.675 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -120.66 84.26 2.2 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.562 1.545 . . . . 0.76 110.527 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.19 -37.24 69.36 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.272 1.429 . . . . 1.36 112.153 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.92 -16.82 62.12 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.537 1.31 . . . . 4.91 114.537 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -0.33 14.74 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.975 1.71 . . . . 2.45 112.688 174.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 45.43 42.42 7.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 127.368 2.267 . . . . 2.35 112.481 -166.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.39 144.73 46.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.654 1.182 . . . . 1.56 111.093 -174.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -131.48 123.9 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.84 -0.538 . . . . 0.86 112.016 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.92 128.58 34.87 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.155 1.782 . . . . 1.19 109.591 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.75 109.05 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.814 1.246 . . . . 0.25 108.144 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.64 99.51 12.11 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.575 1.55 . . . . 0.64 108.553 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -149.85 154.63 38.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.826 1.417 . . . . 0.3 114.826 -165.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.7 p -85.27 -10.33 56.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.145 1.378 . . . . 0.42 113.553 171.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.33 162.68 59.32 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 125.231 1.412 . . . . 0.6 113.468 -174.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.23 139.15 14.66 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.813 3.009 . . . . 0.51 109.004 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -16.14 63.78 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 120.223 -1.548 . . . . 0.65 113.764 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.78 -40.02 82.74 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.392 0.677 . . . . 3.45 111.602 165.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.08 -47.71 15.66 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.201 1.401 . . . . 2.29 111.014 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.64 -35.03 68.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 C-N-CA 123.865 0.866 . . . . 0.45 110.922 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -53.76 -47.54 70.6 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.43 1.014 . . . . 2.17 111.848 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.94 55.75 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.121 1.328 . . . . 0.63 112.08 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.96 -45.83 69.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.538 0.735 . . . . 0.93 111.852 170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.65 -42.23 98.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.901 2.081 . . . . 0.45 111.826 174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -60.77 -26.48 67.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.834 1.254 . . . . 2.44 113.344 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.2 -11.15 44.79 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.096 1.331 . . . . 0.72 115.067 169.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.6 p -76.0 -0.57 22.12 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.249 1.524 . . . . 0.77 112.938 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.66 20.17 41.54 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.055 1.312 . . . . 0.66 113.757 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -137.35 168.41 19.69 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.049 1.34 . . . . 2.51 113.348 -161.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 tm0? -65.88 142.95 57.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.658 1.983 . . . . 5.22 110.612 159.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.13 119.61 6.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.246 1.818 . . . . 0.58 110.774 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.1 t -132.36 131.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.168 1.787 . . . . 0.89 108.867 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.5 tp -77.6 140.4 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.154 -0.966 . . . . 1.17 112.406 173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.531 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.8 mmmt -99.65 -39.97 8.01 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 114.446 -1.252 . . . . 1.56 112.254 176.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.07 -164.87 37.79 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 125.933 1.73 . . . . 0.42 111.166 169.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -91.29 144.22 25.83 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.604 1.162 . . . . 1.45 109.298 170.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 116.666 1.426 . . . . 2.94 116.666 -159.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-O 121.195 0.33 . . . . 1.66 112.804 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -138.84 156.18 47.53 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.487 -1.008 . . . . 0.86 112.771 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 124.27 23.74 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 122.379 1.085 . . . . 2.12 111.308 -164.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.7 m -145.96 152.02 38.74 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.663 2.385 . . . . 1.86 109.77 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.0 m -95.61 113.38 25.02 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.958 0.903 . . . . 0.66 109.615 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -92.89 121.79 34.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.105 -0.702 . . . . 1.85 109.105 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -104.36 92.17 4.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.242 1.417 . . . . 2.03 110.848 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -100.13 134.62 42.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.248 -0.908 . . . . 1.6 112.896 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.63 33.12 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.335 1.054 . . . . 0.45 111.323 167.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -139.3 155.77 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.39 -1.444 . . . . 0.62 113.804 -169.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -86.83 94.93 9.69 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.769 -1.207 . . . . 2.99 111.78 173.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -151.82 140.03 20.31 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.335 1.054 . . . . 0.59 112.852 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.2 p -131.21 -4.65 3.87 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.79 1.774 . . . . 2.96 115.79 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -135.79 159.51 41.43 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 124.637 1.175 . . . . 1.3 112.643 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -60.4 -24.83 65.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.274 1.83 . . . . 2.59 114.932 -163.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -77.49 -25.26 50.25 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.429 1.27 . . . . 1.19 114.429 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -69.25 -41.43 76.96 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 118.712 0.687 . . . . 1.05 110.576 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -49.52 -54.68 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 128.802 2.841 . . . . 0.76 111.575 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.65 -38.18 80.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.079 0.952 . . . . 2.67 112.23 173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.46 75.42 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.959 -0.564 . . . . 0.64 111.654 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 69' ' ' THR . 3.6 t -67.03 -45.65 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 O-C-N 121.294 -0.879 . . . . 0.87 110.981 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -34.58 63.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.107 0.963 . . . . 3.04 111.395 177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -83.43 -18.94 36.93 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.691 1.737 . . . . 1.73 115.691 -175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t -63.82 -36.11 82.83 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.219 0.918 . . . . 1.48 111.562 161.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.99 -34.74 24.29 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.845 1.258 . . . . 0.83 113.553 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.01 124.72 22.82 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.219 1.008 . . . . 1.69 111.167 -175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.92 9.23 82.97 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 126.777 2.132 . . . . 1.0 116.771 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.4 t -78.79 120.19 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 120.583 2.192 . . . . 1.01 110.925 -173.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.64 114.45 2.5 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.319 0.647 . . . . 1.45 111.126 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.92 5.48 47.3 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.523 1.535 . . . . 0.87 114.771 -171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.31 138.1 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 119.59 1.695 . . . . 1.64 110.235 166.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -94.67 -52.37 4.32 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.86 0.864 . . . . 3.88 111.055 165.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -151.05 162.23 41.23 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.192 1.397 . . . . 2.34 110.313 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -147.05 154.97 11.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 126.303 1.841 . . . . 1.14 110.066 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -155.43 146.48 22.52 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.029 0.932 . . . . 2.81 110.377 165.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.15 130.49 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 120.212 -1.555 . . . . 2.11 110.983 174.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -110.48 83.94 1.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 125.038 1.335 . . . . 1.39 109.615 171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.84 -37.44 51.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.274 1.83 . . . . 1.54 111.345 170.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -18.86 25.0 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.415 2.286 . . . . 4.94 115.314 172.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -118.63 2.32 11.71 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.04 1.336 . . . . 2.44 112.614 167.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 49.99 29.49 3.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.237 1.415 . . . . 3.5 113.772 -161.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.7 tpp -100.01 151.38 21.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.597 1.159 . . . . 1.77 112.267 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -132.65 132.61 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.61 1.564 . . . . 0.65 110.317 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.25 129.17 53.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.957 2.103 . . . . 1.15 109.482 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.15 106.31 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 124.966 1.307 . . . . 0.27 108.402 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -88.92 99.5 12.45 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 0.47 109.161 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 t -151.82 161.07 43.25 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.942 -1.099 . . . . 0.37 113.96 -165.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -90.71 -7.79 51.59 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.996 1.718 . . . . 0.45 114.327 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.1 mt -68.65 158.6 85.06 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 126.244 1.818 . . . . 0.47 113.176 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.3 138.76 25.33 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.959 2.439 . . . . 0.64 109.1 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -30.83 71.09 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.524 1.511 . . . . 0.92 112.509 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -54.12 -29.47 45.06 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.164 2.186 . . . . 4.05 114.083 166.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.68 -45.02 13.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.581 1.152 . . . . 2.29 111.663 172.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.06 -34.27 69.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 O-C-N 121.064 -1.023 . . . . 0.36 111.343 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -54.06 -47.89 71.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.345 0.975 . . . . 1.87 110.676 171.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.82 -31.65 66.76 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.707 1.139 . . . . 0.55 110.9 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -42.98 94.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.457 0.703 . . . . 0.73 112.177 174.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.94 -39.71 90.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.97 2.108 . . . . 0.42 112.084 170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -61.72 -33.0 73.25 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.704 -1.248 . . . . 2.24 112.764 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.22 -6.46 20.3 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.438 1.018 . . . . 0.99 114.999 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 ' HA ' ' A' ' 29' ' ' VAL . 17.0 p -83.16 2.1 37.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.904 1.282 . . . . 1.18 112.382 173.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.33 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.764 1.65 . . . . 1.18 114.156 167.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -151.94 174.6 13.43 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.814 1.646 . . . . 2.24 113.217 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -83.3 151.36 25.62 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.985 1.314 . . . . 3.48 111.842 166.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -135.43 143.9 46.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.849 2.46 . . . . 0.82 109.69 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -143.04 119.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 126.881 2.072 . . . . 0.74 108.517 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 76' ' ' LYS . 7.7 tp -75.42 135.43 40.76 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.262 -0.899 . . . . 1.18 112.919 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' H ' HD12 ' A' ' 75' ' ' LEU . 26.0 mmmt -105.72 -21.71 13.12 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.763 1.394 . . . . 2.26 114.763 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.39 -167.56 33.5 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.88 1.705 . . . . 0.48 112.947 157.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -100.84 105.75 17.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.454 1.901 . . . . 1.57 109.348 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.487 0 C-N-CA 124.169 0.89 . . . . 4.06 113.933 -170.367 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 109.468 -1.453 . . . . 2.01 109.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.6 t -132.79 146.57 51.95 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 126.234 1.813 . . . . 0.85 111.942 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.09 120.72 19.1 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 123.354 1.549 . . . . 1.91 111.183 -170.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -148.34 157.76 43.68 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 128.214 2.605 . . . . 2.0 109.543 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.7 m -89.19 139.18 30.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.717 0.77 . . . . 0.73 110.778 172.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 141.81 48.14 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.101 1.76 . . . . 2.51 110.549 167.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -127.73 89.77 3.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 122.049 0.928 . . . . 2.1 112.599 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -101.03 136.75 40.39 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.629 1.172 . . . . 2.28 112.454 -173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.92 146.18 33.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.42 -0.809 . . . . 0.58 110.562 163.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.1 m -143.26 163.27 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.08 1.352 . . . . 0.58 112.495 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -96.68 92.15 6.06 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.983 -1.073 . . . . 4.14 111.328 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -157.11 154.2 29.03 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.248 1.019 . . . . 0.68 112.956 169.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -150.57 -16.09 0.23 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.722 1.609 . . . . 2.83 114.772 -172.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 155.99 22.61 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.693 -1.254 . . . . 1.04 112.763 173.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -61.4 -21.69 64.3 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.728 1.751 . . . . 2.19 115.728 -170.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.0 m -67.92 -33.84 75.45 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.625 1.102 . . . . 1.15 113.67 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 70.8 m -82.35 -33.79 28.72 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.599 0.76 . . . . 0.7 111.397 -172.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -54.58 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.767 2.027 . . . . 0.69 110.254 165.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -36.74 84.97 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.147 0.579 . . . . 2.24 111.485 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.71 74.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 122.733 0.413 . . . . 0.64 110.688 -176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.72 -38.94 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-O 119.054 -0.498 . . . . 0.63 110.456 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -56.82 -32.31 65.61 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.883 0.765 . . . . 3.1 111.277 170.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.251 95.7 mttt -87.46 -17.83 31.28 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.982 1.475 . . . . 1.06 114.982 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.8 t -70.05 -33.29 71.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.729 1.15 . . . . 0.97 110.583 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.21 -37.16 38.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.097 1.359 . . . . 0.72 114.073 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.77 129.02 38.22 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.572 1.149 . . . . 1.45 110.288 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.27 9.83 86.68 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.648 1.419 . . . . 1.15 116.648 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.3 132.51 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 120.273 2.036 . . . . 1.3 109.809 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 107.42 4.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.608 -1.178 . . . . 1.33 109.372 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.68 10.24 38.42 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.452 1.501 . . . . 0.67 115.181 -172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.24 142.69 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.03 1.915 . . . . 1.45 110.882 170.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -95.84 -56.32 2.7 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.533 -0.729 . . . . 3.25 110.375 162.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.02 169.14 25.5 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.309 1.052 . . . . 2.62 111.075 -163.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -144.13 157.43 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.106 1.762 . . . . 0.9 111.882 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -143.96 111.47 5.98 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.411 0.684 . . . . 2.8 109.243 163.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.86 133.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.122 -0.986 . . . . 1.99 110.559 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.8 89.59 3.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.359 1.464 . . . . 0.9 109.104 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.83 -36.77 70.37 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.219 1.408 . . . . 1.46 112.245 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.87 -6.63 39.61 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.142 1.534 . . . . 2.92 115.142 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -121.34 3.99 10.27 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.504 2.321 . . . . 2.98 112.322 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 43.43 42.49 3.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.304 2.242 . . . . 2.49 113.103 -167.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.2 tpp -126.9 151.6 48.22 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.242 1.417 . . . . 1.82 111.636 -165.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -137.36 121.47 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.52 1.128 . . . . 0.65 111.743 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.01 134.05 34.46 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.105 1.362 . . . . 1.04 109.921 167.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.62 106.82 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.085 1.354 . . . . 0.37 109.591 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -80.8 99.84 8.48 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.15 1.78 . . . . 0.97 109.75 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -151.72 154.17 35.78 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 114.948 1.462 . . . . 0.31 114.948 -168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 p -86.49 -9.1 56.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.302 1.041 . . . . 0.56 113.455 171.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.42 157.23 90.39 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.069 1.748 . . . . 0.5 113.122 -176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -80.68 147.57 17.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.367 2.712 . . . . 0.51 109.299 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -28.83 63.38 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.449 -1.407 . . . . 0.85 114.122 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.24 -34.44 66.36 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.527 1.058 . . . . 2.83 112.734 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.15 -44.0 20.63 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.477 1.111 . . . . 2.63 111.065 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.67 -38.54 79.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.241 1.016 . . . . 0.36 111.191 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -48.48 -49.78 34.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.226 1.41 . . . . 1.79 111.037 170.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.44 -21.36 49.27 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.946 0.793 . . . . 0.59 112.334 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.6 mt -70.64 -43.81 68.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.806 0.842 . . . . 0.7 112.355 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.81 -50.2 58.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.283 1.833 . . . . 0.46 111.177 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -56.21 -24.77 44.11 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.688 1.595 . . . . 2.29 112.898 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.64 -10.96 59.21 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.549 1.547 . . . . 0.61 112.884 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.19 12.17 16.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 2.15 113.513 174.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.0 23.97 76.84 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.174 0.893 . . . . 0.79 114.263 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -148.26 159.71 43.7 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 127.883 2.473 . . . . 2.79 109.339 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -70.63 148.47 48.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.286 1.041 . . . . 3.66 112.036 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.28 137.1 48.69 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.853 2.461 . . . . 0.67 108.692 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -138.67 122.53 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 125.882 1.673 . . . . 0.73 107.807 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.9 tp -73.63 136.56 43.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.807 0.813 . . . . 1.12 112.569 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.582 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -106.07 -32.82 8.09 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.986 1.315 . . . . 1.56 113.676 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.09 -172.48 41.46 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 126.418 1.961 . . . . 0.61 111.842 166.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.24 156.18 19.77 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.923 1.289 . . . . 1.26 111.181 174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 C-N-CA 125.194 1.378 . . . . 2.49 114.631 -178.513 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.762 0 CA-C-O 122.309 0.949 . . . . 2.87 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -111.28 158.92 18.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 127.476 2.311 . . . . 1.55 112.845 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 145.15 42.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.692 1.997 . . . . 2.37 112.635 -165.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -152.66 159.11 43.2 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.361 1.465 . . . . 2.15 111.841 168.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.6 m -89.1 121.18 31.18 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.642 1.177 . . . . 0.47 110.542 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.29 131.42 50.36 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.708 1.203 . . . . 1.62 109.572 169.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.9 92.07 3.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.648 1.579 . . . . 2.0 111.243 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.93 149.49 22.9 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.035 -1.04 . . . . 2.13 112.645 -173.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.8 131.34 54.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.0 1.72 . . . . 0.5 111.614 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -141.01 160.13 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.268 1.21 . . . . 0.66 114.268 -165.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -84.3 92.1 7.92 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 120.796 -1.19 . . . . 3.56 112.68 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -147.71 161.9 40.27 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.641 -1.287 . . . . 0.7 113.825 163.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -132.5 -36.2 1.11 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 117.149 2.278 . . . . 3.43 117.149 -167.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.52 173.05 11.87 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 124.529 1.132 . . . . 1.49 113.286 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -54.38 -28.36 42.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.045 2.138 . . . . 2.26 116.128 -165.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.5 p -80.08 -21.49 43.28 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.265 1.209 . . . . 1.65 114.265 178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 63.7 m -80.68 -41.5 23.6 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.94 0.896 . . . . 1.05 110.467 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -50.5 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 127.689 2.396 . . . . 0.82 109.635 173.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.59 -41.21 85.28 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.01 1.724 . . . . 2.54 112.718 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.28 -48.28 43.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.578 0.351 . . . . 0.4 111.119 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.4 t -67.89 -35.21 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.383 -0.823 . . . . 0.6 110.933 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -56.37 -39.43 72.9 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.594 1.088 . . . . 3.03 112.439 168.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -84.33 -17.66 38.79 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.002 1.112 . . . . 1.09 114.002 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 t -72.58 -12.74 61.18 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.895 1.072 . . . . 1.05 113.895 159.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.67 -36.03 9.99 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.32 1.448 . . . . 0.55 112.094 174.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -69.02 125.92 28.19 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.461 1.104 . . . . 1.57 111.403 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.69 15.2 73.86 Favored Glycine 0 CA--C 1.541 1.716 0 N-CA-C 116.31 1.284 . . . . 0.93 116.31 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.7 t -83.73 131.0 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 119.573 1.686 . . . . 0.85 108.591 174.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.82 117.68 11.71 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.784 0.834 . . . . 0.97 111.324 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 6.85 50.83 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.132 1.349 . . . . 0.63 114.271 -173.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.78 147.27 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 119.567 1.684 . . . . 1.59 110.44 165.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -107.05 -50.79 3.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.993 1.717 . . . . 3.06 111.716 164.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -152.26 165.98 33.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 123.0 1.381 . . . . 2.4 112.09 -172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.8 t -131.96 148.49 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 127.683 2.393 . . . . 3.02 107.592 174.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -143.25 109.84 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.632 0.73 . . . . 2.72 109.527 158.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -93.41 131.63 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.1 -1.0 . . . . 2.3 110.309 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -108.82 87.6 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.834 1.654 . . . . 1.15 109.435 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -56.63 -37.6 70.95 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.333 1.053 . . . . 1.55 111.774 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -71.0 -8.63 54.64 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.44 1.274 . . . . 3.32 114.44 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.1 2.29 13.37 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.098 1.759 . . . . 2.08 112.929 168.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 50.27 30.83 4.67 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.77 1.628 . . . . 2.41 113.334 -166.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.8 ttm -108.87 146.26 34.0 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.941 1.296 . . . . 0.95 111.463 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.82 120.35 41.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 124.131 0.972 . . . . 0.95 110.906 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.91 134.46 34.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.857 1.263 . . . . 1.06 109.271 165.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 t -132.27 110.57 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 126.366 1.866 . . . . 0.31 107.018 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -91.17 99.14 12.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.626 1.57 . . . . 0.6 108.415 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -152.58 156.5 39.44 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.44 1.274 . . . . 0.36 114.44 -166.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 -12.04 59.66 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 121.045 -1.035 . . . . 0.6 112.629 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.83 148.75 96.55 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.575 1.15 . . . . 0.56 112.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -79.33 142.77 16.94 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.479 2.786 . . . . 0.6 109.274 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -22.52 56.96 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.908 1.077 . . . . 0.73 113.908 -178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -60.45 -28.82 68.61 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.654 1.115 . . . . 3.9 113.991 169.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -86.84 -44.8 11.43 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.601 1.091 . . . . 4.88 111.539 170.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.95 -37.51 79.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 CA-C-O 118.671 -0.681 . . . . 0.42 110.162 -172.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -53.04 -46.36 68.43 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.352 1.061 . . . . 1.4 111.56 168.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.58 62.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.377 0.671 . . . . 0.69 112.326 -178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.3 mt -70.65 -43.28 69.52 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.567 1.547 . . . . 1.06 111.252 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.35 -46.46 88.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.221 1.808 . . . . 0.51 111.454 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.94 -24.25 57.11 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.023 1.329 . . . . 2.78 113.757 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.71 -15.78 60.31 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.576 1.084 . . . . 0.87 114.948 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.0 p -78.48 1.21 23.05 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 125.742 1.617 . . . . 0.74 113.051 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.42 18.93 70.04 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.514 1.054 . . . . 0.68 113.807 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -132.37 147.4 52.39 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 127.863 2.465 . . . . 2.46 108.51 -170.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -63.81 145.15 56.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.294 0.568 . . . . 3.06 111.289 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.14 137.62 52.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.301 1.84 . . . . 0.6 111.29 166.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.0 t -138.63 130.13 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 126.307 1.843 . . . . 0.51 107.986 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.2 tp -81.49 139.03 35.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 120.959 -1.088 . . . . 1.14 112.156 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.6 mmmt -103.81 -31.05 9.99 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.124 0.97 . . . . 1.4 112.476 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.92 -159.63 32.07 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 125.809 1.671 . . . . 0.42 112.002 159.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -98.74 145.98 26.36 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.227 1.411 . . . . 1.12 110.366 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 116.049 1.18 . . . . 2.32 116.049 -166.104 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 N-CA-C 112.54 -0.224 . . . . 2.8 112.54 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.0 t -124.96 157.69 35.45 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.124 1.769 . . . . 0.94 110.804 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.92 142.44 49.48 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.589 0.709 . . . . 2.41 111.868 -161.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 t -150.63 159.93 44.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 125.488 1.515 . . . . 2.64 110.549 166.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.0 m -83.33 114.25 21.28 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.51 108.881 167.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.1 127.47 36.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.956 0.902 . . . . 1.68 108.867 168.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -109.4 89.89 3.14 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.527 1.531 . . . . 2.4 110.432 -174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -98.16 146.77 25.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.26 -0.9 . . . . 1.63 112.709 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.66 144.32 25.64 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.017 1.327 . . . . 0.67 111.446 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 m -141.63 153.67 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 125.094 1.358 . . . . 0.56 111.995 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -89.56 91.28 8.62 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 121.015 -1.053 . . . . 2.84 111.415 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -150.52 150.49 31.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.43 1.092 . . . . 0.66 113.761 171.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.6 p -134.39 -10.02 2.52 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 116.21 1.93 . . . . 2.81 116.21 -168.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -147.09 162.32 39.07 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 125.444 1.497 . . . . 1.77 113.406 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -63.9 -15.65 59.56 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 117.936 2.569 . . . . 2.63 117.936 -162.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.3 p -77.98 -23.13 48.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.555 1.525 . . . . 2.92 113.992 174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.2 m -71.24 -48.65 49.86 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 122.175 0.988 . . . . 1.23 110.36 174.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG12 HG11 ' A' ' 44' ' ' VAL . 1.1 t -52.39 -54.46 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 129.669 3.188 . . . . 0.91 110.929 -177.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -59.47 -30.36 68.47 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 2.58 113.057 174.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.28 27.84 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 118.807 -0.615 . . . . 0.54 112.648 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.61 -39.93 78.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 CA-C-N 119.51 1.05 . . . . 0.6 110.869 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -53.9 -43.03 69.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.104 0.962 . . . . 2.7 111.199 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.261 84.2 mttt -80.12 -20.05 45.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.602 0.964 . . . . 1.2 113.602 -171.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 t -61.55 -26.27 67.84 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.794 0.664 . . . . 0.96 112.794 164.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mt -99.39 -27.04 13.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.619 1.567 . . . . 0.66 114.006 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -78.6 120.26 23.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.166 0.986 . . . . 1.68 111.048 -163.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.78 19.19 71.13 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.498 -1.168 . . . . 1.5 115.093 -174.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.82 125.11 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.576 1.688 . . . . 1.35 109.65 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.77 125.11 24.84 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.897 0.879 . . . . 2.22 111.212 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 -10.85 59.38 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.135 1.35 . . . . 0.96 113.472 -171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.64 135.98 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.893 1.277 . . . . 1.96 108.035 160.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -107.9 -33.03 7.35 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.507 1.523 . . . . 3.22 113.53 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -154.81 167.89 28.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.973 1.709 . . . . 1.79 111.303 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -146.3 156.88 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 127.217 2.207 . . . . 1.03 111.569 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -154.73 123.46 6.17 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.749 0.82 . . . . 2.63 111.746 172.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 HG12 ' A' ' 26' ' ' VAL . 11.7 p -101.55 134.25 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.355 -1.466 . . . . 1.95 111.375 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -121.52 89.32 3.1 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.428 1.491 . . . . 1.21 111.012 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -54.59 -37.2 65.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.291 1.037 . . . . 2.11 112.458 174.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.54 -1.91 15.07 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.526 1.306 . . . . 3.08 114.526 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -116.72 -3.74 11.71 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.015 1.326 . . . . 3.48 113.071 156.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 52.08 30.61 7.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.815 2.046 . . . . 3.31 112.743 -159.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.8 ttm -97.48 153.74 17.94 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.711 1.204 . . . . 1.29 113.041 -178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.95 123.14 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 126.163 1.785 . . . . 0.69 108.965 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.6 133.36 35.61 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.769 1.628 . . . . 1.04 109.289 171.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.06 110.26 15.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 108.362 -0.977 . . . . 0.47 108.362 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -87.77 97.87 11.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.321 1.448 . . . . 0.59 108.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.16 161.06 42.87 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.508 1.299 . . . . 0.39 114.508 -166.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -88.01 -13.78 40.74 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.947 1.091 . . . . 0.91 113.947 167.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.93 151.07 81.17 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 125.21 1.404 . . . . 0.54 111.857 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -78.38 140.6 17.36 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.21 2.607 . . . . 0.61 108.485 -177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 p -58.88 -23.34 60.83 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.323 -1.486 . . . . 1.0 113.682 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -61.11 -27.16 68.17 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.423 1.089 . . . . 2.47 113.567 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -87.93 -45.63 10.08 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.453 1.901 . . . . 2.5 111.338 174.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.4 -35.92 64.36 Favored 'Isoleucine or valine' 0 C--N 1.343 0.291 0 C-N-CA 124.01 0.924 . . . . 0.37 111.303 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -50.86 -46.03 60.06 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.493 1.042 . . . . 1.57 110.217 172.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.4 -23.98 34.64 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.899 -0.501 . . . . 1.04 112.271 -174.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.27 -38.07 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.745 0.818 . . . . 0.84 112.232 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.77 -41.45 62.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.271 1.828 . . . . 1.15 112.289 175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.11 -27.55 20.68 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.95 1.093 . . . . 2.29 113.95 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.52 -3.31 2.93 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.824 1.202 . . . . 1.06 114.586 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.8 p -73.36 -0.6 15.17 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.238 2.215 . . . . 0.73 112.5 168.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.82 28.01 7.19 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.967 1.746 . . . . 0.97 114.877 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -149.12 -161.1 1.27 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.66 1.984 . . . . 2.83 111.605 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -103.06 150.85 23.18 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.569 1.147 . . . . 2.79 112.796 167.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -128.62 139.4 52.28 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.862 2.465 . . . . 0.5 110.93 166.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -142.0 125.02 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.175 1.79 . . . . 0.55 108.955 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 76' ' ' LYS . 11.2 tp -74.37 138.75 43.62 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.27 -0.894 . . . . 1.23 112.186 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.0 mmmt -102.62 -36.25 8.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.166 0.986 . . . . 1.35 112.269 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.37 -149.85 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.467 1.984 . . . . 0.43 111.324 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -114.71 155.09 27.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.24 1.416 . . . . 1.33 111.962 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.37 0.986 . . . . 2.4 113.924 175.82 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 114.561 0.584 . . . . 2.13 114.561 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -145.81 153.06 40.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.051 1.741 . . . . 0.84 112.314 -176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 40' ' ' GLN . 8.6 mt -73.91 123.65 24.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.085 1.354 . . . . 2.99 114.629 -163.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -140.09 163.0 33.87 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.371 2.268 . . . . 2.57 109.633 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -81.15 138.39 35.88 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 159.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.42 137.15 54.96 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.169 1.388 . . . . 2.59 110.082 163.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.15 92.5 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 123.984 1.85 . . . . 2.15 111.092 -154.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -102.98 145.36 29.99 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.219 1.808 . . . . 1.68 112.795 -170.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.99 146.86 23.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.192 0.997 . . . . 0.46 110.812 161.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -140.61 158.07 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.967 1.307 . . . . 0.6 112.537 -174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -91.67 87.83 6.48 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.117 -0.989 . . . . 3.29 111.122 174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -153.67 154.59 34.43 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.242 1.417 . . . . 0.73 111.117 168.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -150.29 -20.38 0.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.049 1.5 . . . . 2.66 115.049 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.28 155.94 23.23 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 120.253 1.388 . . . . 1.47 114.146 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -61.28 -22.07 64.51 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.979 1.844 . . . . 3.07 115.979 -161.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.148 -0.97 . . . . 1.16 112.542 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.0 m -74.55 -40.08 61.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.26 1.024 . . . . 0.85 111.178 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG12 HG11 ' A' ' 44' ' ' VAL . 2.1 t -45.63 -56.11 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 127.11 2.164 . . . . 0.75 110.911 171.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -68.56 -32.82 73.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.876 0.87 . . . . 3.24 112.519 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.85 77.24 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.28 0.946 . . . . 0.48 111.074 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG13 HG21 ' A' ' 69' ' ' THR . 5.7 t -70.06 -41.61 79.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 117.843 -1.075 . . . . 0.58 110.324 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -52.73 -41.88 64.39 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.156 1.344 . . . . 2.9 111.41 171.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.269 90.3 mttt -83.95 -18.14 38.25 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.513 0.931 . . . . 1.46 113.513 -174.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 p -60.91 -36.18 78.61 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.475 0.71 . . . . 2.4 112.185 162.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.06 -36.82 20.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.332 1.853 . . . . 0.55 112.614 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -59.55 135.05 57.55 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.293 1.044 . . . . 1.38 111.177 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.45 26.59 69.74 Favored Glycine 0 CA--C 1.54 1.634 0 CA-C-N 114.331 -1.304 . . . . 0.95 115.389 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.96 136.82 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 120.227 2.013 . . . . 0.91 109.692 172.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 118.88 7.39 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.556 0.742 . . . . 0.96 111.24 174.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.47 2.67 53.53 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.629 1.585 . . . . 0.56 114.791 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.14 142.61 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 118.963 1.382 . . . . 1.54 110.467 173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 11' ' ' LEU . 66.2 mm-40 -109.13 -46.59 3.56 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.585 1.154 . . . . 3.09 112.447 167.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.89 166.05 30.74 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 122.348 1.071 . . . . 2.05 111.42 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -147.19 155.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.308 1.843 . . . . 0.84 111.311 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -147.3 136.69 22.64 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.507 1.523 . . . . 3.22 109.257 168.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.494 HG11 HG12 ' A' ' 26' ' ' VAL . 8.3 p -111.9 139.78 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 O-C-N 120.752 -1.217 . . . . 1.96 110.073 171.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -121.2 85.62 2.43 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.215 1.406 . . . . 0.72 110.244 172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -55.26 -34.75 64.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.561 1.544 . . . . 1.44 112.583 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.37 -12.65 58.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.188 0.995 . . . . 3.34 113.594 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -115.57 -4.12 12.28 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.001 1.321 . . . . 2.57 113.933 167.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 48.99 38.49 12.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.172 1.789 . . . . 2.84 113.115 -157.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.1 ttm -103.82 154.34 19.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.624 1.17 . . . . 0.95 113.057 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.89 133.91 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 126.437 1.895 . . . . 0.63 110.27 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.76 136.09 49.65 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 126.548 1.939 . . . . 0.91 109.376 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.42 110.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.49 -1.3 . . . . 0.37 107.49 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.18 99.76 11.75 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.99 1.316 . . . . 0.74 108.625 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -151.32 153.81 35.53 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.237 1.015 . . . . 0.31 113.193 -165.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -79.77 -11.62 59.82 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.19 1.552 . . . . 0.45 115.19 167.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.32 162.8 52.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 125.449 1.5 . . . . 0.53 114.52 -172.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.25 140.61 12.36 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.431 3.42 . . . . 0.48 110.094 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -27.63 64.63 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.536 -1.353 . . . . 0.76 113.758 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -59.44 -36.59 76.2 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.083 0.953 . . . . 2.46 112.072 171.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -78.19 -42.28 31.99 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.649 1.179 . . . . 2.36 111.015 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.9 -40.31 87.14 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 C-N-CA 124.765 1.226 . . . . 0.43 110.418 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -53.65 -46.32 70.51 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.119 0.872 . . . . 1.53 110.86 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.16 -22.18 45.39 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.354 0.979 . . . . 0.53 111.771 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.8 -46.28 82.71 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.054 -1.029 . . . . 0.76 111.484 166.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.05 -42.02 76.87 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.089 1.756 . . . . 0.47 112.101 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -72.77 -22.35 60.86 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.148 1.379 . . . . 2.6 113.41 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.44 -1.45 29.07 Favored Glycine 0 CA--C 1.535 1.281 0 O-C-N 121.21 -0.931 . . . . 0.65 114.818 170.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.443 HG21 HG13 ' A' ' 29' ' ' VAL . 33.6 p -86.5 -4.27 59.15 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.592 1.196 . . . . 0.8 113.631 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 16.75 28.33 Favored Glycine 0 N--CA 1.478 1.479 0 C-N-CA 124.737 1.161 . . . . 0.7 115.242 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -145.95 -176.46 5.15 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.117 2.167 . . . . 3.24 110.983 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -97.62 154.16 17.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.71 1.204 . . . . 2.75 112.13 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.93 145.35 50.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.338 2.255 . . . . 0.83 110.756 165.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.0 t -138.63 114.24 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 127.191 2.196 . . . . 0.99 108.059 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.0 tp -66.69 140.01 57.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.212 0.819 . . . . 1.09 113.212 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.626 ' H ' HD12 ' A' ' 75' ' ' LEU . 71.2 mmtt -112.46 -26.42 8.71 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.471 1.508 . . . . 2.24 114.134 179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.02 -167.53 37.42 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.832 1.682 . . . . 0.47 112.423 158.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.6 126.43 31.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.716 -0.846 . . . . 1.31 108.716 166.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 114.268 0.467 . . . . 2.2 114.268 -168.227 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 122.135 0.853 . . . . 1.75 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.8 t -151.96 149.64 29.13 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.987 1.715 . . . . 1.04 112.675 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD11 ' HG3' ' A' ' 40' ' ' GLN . 5.3 mt -65.86 130.52 43.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.361 1.464 . . . . 3.03 113.731 -168.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.9 m -151.67 156.13 39.74 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.257 2.623 . . . . 1.83 109.568 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.6 m -97.01 126.28 42.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.936 0.894 . . . . 0.45 109.883 169.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.38 132.02 53.62 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.166 0.986 . . . . 1.56 110.439 171.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -107.58 93.58 4.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.562 1.945 . . . . 1.98 112.049 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.33 141.82 31.6 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.816 -1.177 . . . . 1.55 112.745 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 135.7 33.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.171 0.989 . . . . 0.37 111.15 161.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.51 161.04 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 120.841 -1.162 . . . . 0.56 112.246 -173.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.59 89.81 7.33 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.5 -0.75 . . . . 3.79 111.535 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -152.0 142.81 22.93 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.275 1.03 . . . . 0.88 112.353 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -145.64 8.23 1.14 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.972 1.309 . . . . 3.44 114.294 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.69 161.72 32.11 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.411 1.485 . . . . 0.95 112.549 170.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -72.54 -24.0 61.07 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.69 1.367 . . . . 1.86 114.69 -161.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -69.58 -25.88 64.19 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.556 0.947 . . . . 1.31 113.556 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.9 m -77.21 -41.22 42.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.869 0.868 . . . . 0.99 110.865 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -51.99 -54.97 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 127.657 2.383 . . . . 0.68 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.59 -39.83 89.54 Favored 'General case' 0 CA--C 1.527 0.064 0 C-N-CA 123.836 0.854 . . . . 2.42 111.116 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.05 -45.69 73.22 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 122.042 -0.411 . . . . 0.51 111.674 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.96 -43.8 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 118.661 -0.685 . . . . 0.66 110.03 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -52.66 -41.33 63.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.837 0.855 . . . . 3.13 110.948 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -85.99 -20.65 28.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.632 1.345 . . . . 1.37 114.632 -173.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.54 -40.63 93.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.797 0.726 . . . . 1.38 111.345 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.94 -40.2 72.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.389 1.076 . . . . 0.78 113.531 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -74.27 136.36 42.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.532 0.733 . . . . 3.47 110.186 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.51 9.45 68.94 Favored Glycine 0 CA--C 1.537 1.421 0 CA-C-O 118.726 -1.041 . . . . 1.11 115.604 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.18 148.81 6.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 CA-C-N 120.03 1.915 . . . . 1.9 109.978 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.12 115.96 3.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.786 -1.097 . . . . 1.22 110.02 172.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.56 -15.91 55.43 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.575 1.56 . . . . 1.0 114.981 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.97 144.55 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 120.475 2.137 . . . . 1.77 110.59 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 11' ' ' LEU . 10.4 mm100 -110.31 -39.98 4.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.91 1.684 . . . . 3.97 113.236 167.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -156.26 168.47 27.21 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.747 1.219 . . . . 2.27 111.767 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 m -143.22 154.04 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 126.523 1.929 . . . . 0.86 111.962 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.6 141.56 41.28 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.191 1.397 . . . . 3.75 109.031 159.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.676 HG22 HG13 ' A' ' 51' ' ' VAL . 20.0 t -118.65 139.76 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.378 -0.827 . . . . 1.57 110.379 177.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -121.48 88.25 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.531 1.132 . . . . 0.72 110.589 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -34.62 75.52 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.921 0.888 . . . . 1.37 112.098 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.2 -19.33 61.75 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.234 0.828 . . . . 3.55 113.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.14 -5.75 29.54 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.382 1.473 . . . . 2.75 113.216 168.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 50.02 36.22 11.43 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.409 1.483 . . . . 2.35 112.935 -164.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.8 ttm -119.71 149.71 41.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 1.13 112.04 -171.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.676 HG13 HG22 ' A' ' 44' ' ' VAL . 3.5 t -134.1 134.55 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 124.237 1.015 . . . . 0.71 111.49 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.05 132.44 50.3 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 126.029 1.732 . . . . 0.97 109.46 170.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.19 110.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.25 108.199 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -85.6 105.23 16.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.159 1.383 . . . . 0.58 108.897 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.6 t -151.97 155.98 39.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.587 0.958 . . . . 0.38 113.587 -168.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.1 p -80.82 -18.12 48.54 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.806 1.41 . . . . 0.62 114.806 166.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -69.29 155.4 93.62 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.944 1.297 . . . . 0.53 112.742 -168.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.53 144.38 49.78 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.961 2.441 . . . . 0.49 109.118 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.46 67.79 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.389 -1.444 . . . . 0.73 113.372 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.16 -30.16 70.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.801 1.241 . . . . 2.66 112.591 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -82.52 -42.41 18.43 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.515 1.526 . . . . 2.24 111.656 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.51 -37.92 80.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 O-C-N 120.97 -1.081 . . . . 0.37 110.666 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -54.6 -45.07 73.57 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.209 -0.901 . . . . 1.23 110.581 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.21 59.98 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 120.061 1.3 . . . . 0.75 112.078 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.3 mt -72.71 -45.01 60.96 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.355 1.462 . . . . 0.64 111.716 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.4 -46.0 81.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.243 1.817 . . . . 0.43 111.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -55.67 -35.5 66.07 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.063 1.745 . . . . 2.9 111.261 167.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.94 -1.1 6.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.376 1.941 . . . . 1.33 115.437 171.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.7 p -95.1 6.11 49.97 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.923 1.862 . . . . 0.87 113.08 168.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.81 16.83 59.16 Favored Glycine 0 CA--C 1.537 1.459 0 N-CA-C 115.76 1.064 . . . . 1.05 115.76 171.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -141.8 178.92 7.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.551 2.34 . . . . 3.17 111.187 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -87.01 151.92 22.84 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.819 1.415 . . . . 4.3 114.819 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.94 9.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.819 2.847 . . . . 0.46 110.441 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.27 128.88 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.734 2.014 . . . . 0.61 109.072 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.597 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.5 tp -80.27 139.65 36.57 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.893 1.071 . . . . 1.14 113.893 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.597 ' H ' HD12 ' A' ' 75' ' ' LEU . 72.6 mmtt -108.39 -29.67 8.71 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.534 1.534 . . . . 1.92 113.74 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.71 -157.34 28.55 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 125.485 1.517 . . . . 0.43 112.49 161.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -108.25 120.47 42.45 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.134 1.374 . . . . 1.27 111.378 -173.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 C-N-CA 125.232 1.396 . . . . 2.45 113.278 -177.624 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 CA-C-O 122.138 0.855 . . . . 1.49 111.179 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -137.47 169.37 17.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.497 1.519 . . . . 0.91 111.018 174.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.8 mt -78.94 130.6 35.77 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.572 1.323 . . . . 3.06 114.572 -162.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.7 t -154.3 160.57 41.82 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.959 1.704 . . . . 3.02 109.959 169.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.0 m -77.37 135.48 38.35 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.994 0.517 . . . . 0.74 109.655 160.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.14 152.26 31.41 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.914 -0.491 . . . . 2.87 111.799 157.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -120.13 110.46 16.66 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.525 1.93 . . . . 2.11 111.547 -172.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 65.9 m-85 -110.99 150.41 29.31 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.021 0.928 . . . . 1.71 111.835 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -108.81 133.46 52.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.377 1.871 . . . . 0.54 109.564 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -144.79 156.75 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.07 0.948 . . . . 0.62 112.739 -165.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -82.69 91.4 6.99 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.858 0.837 . . . . 2.8 111.43 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.34 161.59 40.68 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.495 1.518 . . . . 0.8 111.675 158.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -152.02 -15.01 0.18 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.724 1.61 . . . . 2.99 114.751 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.31 168.17 15.15 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.174 1.352 . . . . 1.07 114.422 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -67.44 -24.02 65.58 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 116.235 1.939 . . . . 1.77 116.235 -159.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -72.59 -31.24 65.05 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.394 0.997 . . . . 1.25 112.768 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.8 m -79.08 -36.56 40.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.908 1.283 . . . . 0.71 111.06 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -45.44 -58.9 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 127.103 2.161 . . . . 0.8 111.132 168.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.02 -39.54 95.05 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 124.608 1.163 . . . . 2.27 111.732 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.61 69.47 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.854 0.359 . . . . 0.43 111.54 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.8 t -71.75 -37.76 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.907 0.883 . . . . 0.64 110.606 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.23 -43.06 70.54 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.159 0.891 . . . . 3.06 111.089 170.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -79.82 -19.58 48.14 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.846 1.424 . . . . 1.1 114.846 -171.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -59.74 -44.37 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.399 0.545 . . . . 0.96 111.629 162.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -75.19 -37.28 61.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.842 1.257 . . . . 0.65 112.556 -176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.12 126.08 28.63 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.332 0.653 . . . . 1.88 110.581 -164.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.79 14.87 81.72 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.181 1.233 . . . . 0.96 116.181 -176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.47 141.51 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 119.278 1.539 . . . . 0.83 110.596 172.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.79 109.73 1.83 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 114.913 -1.04 . . . . 1.04 111.044 172.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.48 7.71 42.1 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.665 2.079 . . . . 0.6 115.738 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.14 137.39 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.711 1.756 . . . . 1.43 111.062 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' HG3' HD11 ' A' ' 11' ' ' LEU . 18.7 mm100 -106.99 -43.54 4.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.427 1.091 . . . . 3.74 112.543 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -150.38 163.33 38.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.28 1.432 . . . . 1.72 110.271 175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -146.9 157.02 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 125.601 1.561 . . . . 1.12 110.864 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -145.23 148.04 33.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.677 1.591 . . . . 4.12 109.813 166.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 t -107.14 143.31 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.211 -0.93 . . . . 1.63 109.855 162.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.98 78.47 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.942 1.297 . . . . 1.27 109.835 170.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.11 -33.55 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.506 1.122 . . . . 1.43 111.485 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 19.3 mp0 -67.71 -19.31 65.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.369 1.868 . . . . 4.52 113.513 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.96 4.06 16.58 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.867 1.667 . . . . 2.35 112.032 171.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 46.9 38.94 6.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.362 1.865 . . . . 2.62 112.387 -166.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.5 ttm -116.46 156.75 26.29 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.836 1.655 . . . . 0.91 112.058 -170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -131.83 132.77 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 125.297 1.439 . . . . 0.8 110.657 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -110.46 131.84 54.71 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.424 1.49 . . . . 1.47 110.629 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.04 108.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 124.992 1.317 . . . . 0.35 108.602 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -85.23 101.69 12.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.409 1.484 . . . . 0.52 109.59 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.7 t -152.08 158.06 42.48 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.826 1.047 . . . . 0.42 113.826 -164.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -86.78 -11.29 51.42 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.334 1.605 . . . . 0.65 115.334 164.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.81 153.42 94.03 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.028 1.331 . . . . 0.39 112.517 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.41 145.54 21.21 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.923 2.415 . . . . 0.47 109.133 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -21.45 63.68 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 115.189 1.552 . . . . 0.8 115.189 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.09 -29.29 70.15 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.552 1.069 . . . . 2.51 112.533 171.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -81.43 -41.44 21.86 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.106 1.363 . . . . 2.38 110.888 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.98 -38.54 80.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 125.924 1.69 . . . . 0.42 110.712 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -54.86 -42.0 71.5 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.419 1.008 . . . . 1.61 111.768 172.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.31 -27.65 42.14 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.164 0.893 . . . . 0.68 111.25 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.04 -36.84 84.9 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.513 -0.742 . . . . 0.93 111.937 169.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.47 -49.09 28.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.217 1.807 . . . . 0.49 112.211 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -27.43 68.98 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.423 -1.423 . . . . 3.19 112.956 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -9.44 14.51 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.72 1.152 . . . . 0.61 115.608 170.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.9 p -84.0 0.26 48.78 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 125.697 1.599 . . . . 0.68 112.981 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.5 29.4 32.99 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.361 1.457 . . . . 0.7 113.843 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -138.6 155.2 48.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.179 1.792 . . . . 2.4 112.405 -168.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -65.45 146.65 54.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.229 -0.896 . . . . 4.01 110.751 163.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -151.27 122.2 7.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.442 2.297 . . . . 0.62 112.438 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.41 131.85 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.425 1.89 . . . . 0.68 108.961 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 1.8 tm? -82.22 132.35 35.23 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.931 0.872 . . . . 2.68 111.108 171.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -94.08 -36.17 12.23 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.731 1.612 . . . . 1.78 112.252 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.57 -158.9 27.86 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 127.312 2.387 . . . . 0.61 111.768 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.1 mtt -92.41 144.22 25.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.815 1.646 . . . . 3.13 111.458 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 124.818 1.199 . . . . 2.51 114.969 -176.552 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.776 0 CA-C-O 121.355 0.419 . . . . 1.9 112.735 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.9 t -142.98 145.16 32.7 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.403 1.481 . . . . 0.88 112.872 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -69.47 135.64 50.44 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.494 0.664 . . . . 2.4 111.133 -166.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.5 m -144.33 143.22 30.87 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.815 2.046 . . . . 1.94 109.516 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -89.41 116.78 27.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.266 0.627 . . . . 0.58 109.482 171.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.58 125.99 49.5 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.314 1.446 . . . . 1.52 110.618 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -95.05 107.64 19.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.413 1.885 . . . . 2.04 111.433 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 79.1 m-85 -107.59 137.08 46.26 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.723 -1.235 . . . . 1.66 112.411 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.46 127.85 37.07 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.179 1.392 . . . . 0.5 110.037 165.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 156.05 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.422 1.089 . . . . 0.56 111.774 -168.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -90.88 90.81 8.07 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 122.002 -0.436 . . . . 3.39 110.502 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE3' HG22 ' A' ' 26' ' ' VAL . 21.2 ptt? -155.87 145.33 20.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.661 1.584 . . . . 0.83 110.334 168.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -142.33 -5.98 0.94 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.198 1.184 . . . . 2.77 114.198 -168.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 155.3 39.84 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.367 1.067 . . . . 0.94 112.527 169.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -62.47 -35.19 78.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.298 1.839 . . . . 2.33 113.693 -166.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -62.11 -31.21 71.64 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.299 1.222 . . . . 1.26 114.299 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.9 m -74.09 -32.1 63.1 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.68 0.673 . . . . 0.74 111.361 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' HE3' ' A' ' 20' ' ' MET . 2.1 t -67.74 -42.16 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 O-C-N 120.716 -1.24 . . . . 2.27 112.975 174.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -59.43 -24.8 63.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.079 0.952 . . . . 2.77 112.522 165.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.73 8.67 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.862 0.69 . . . . 0.91 112.862 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG13 HG21 ' A' ' 69' ' ' THR . 5.2 t -65.04 -35.52 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 O-C-N 121.07 -1.019 . . . . 0.84 110.225 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 mtt-85 -52.62 -38.09 59.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.637 1.175 . . . . 3.04 112.887 172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.288 80.6 mttt -89.6 -18.89 25.67 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.359 1.615 . . . . 1.51 115.359 -178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -64.15 -42.69 96.66 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.28 -0.263 . . . . 1.2 110.982 157.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.43 -28.56 64.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.952 1.701 . . . . 0.88 114.125 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -71.4 129.89 39.95 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.509 1.123 . . . . 1.49 110.797 174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 16.48 74.76 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.408 1.48 . . . . 1.15 116.021 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -75.3 130.9 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 120.477 2.138 . . . . 1.29 111.008 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 111.0 2.91 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.499 1.12 . . . . 1.69 110.2 172.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.25 2.59 54.19 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.614 1.578 . . . . 0.96 114.695 -176.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.49 150.59 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 120.084 1.942 . . . . 1.5 111.083 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -108.26 -47.88 3.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.892 0.877 . . . . 3.16 112.293 159.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -154.52 167.31 30.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.011 1.324 . . . . 2.04 110.918 -168.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.97 167.69 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.193 1.797 . . . . 0.83 112.186 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -141.7 146.75 36.45 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.097 1.759 . . . . 3.56 108.67 152.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 51' ' ' VAL . 57.2 t -125.46 129.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.879 0.847 . . . . 2.11 111.118 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -112.49 94.99 5.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.283 -1.326 . . . . 1.0 110.573 -172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.15 -38.98 88.36 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.5 1.12 . . . . 2.12 111.094 174.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.67 -10.43 58.93 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.893 1.072 . . . . 3.47 113.893 -172.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.86 -1.37 15.55 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.896 1.678 . . . . 2.13 113.233 169.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 47.93 47.82 18.34 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.866 1.666 . . . . 2.66 111.942 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ttm -129.95 156.84 43.78 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.641 1.176 . . . . 0.93 112.064 -168.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.611 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -132.42 135.21 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 125.378 1.471 . . . . 0.82 109.547 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -105.4 132.78 51.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.785 1.234 . . . . 0.93 108.852 164.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.52 110.51 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.661 -0.866 . . . . 0.23 108.661 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -87.12 99.06 11.65 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.756 1.622 . . . . 0.65 108.438 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -151.93 154.49 36.18 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.006 1.854 . . . . 0.35 116.006 -166.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 HD12 ' A' ' 11' ' ' LEU . 33.3 p -85.73 -3.84 59.0 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.356 1.462 . . . . 0.48 114.511 174.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.89 161.06 79.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.252 1.421 . . . . 0.72 113.286 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.85 143.63 33.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.381 2.721 . . . . 0.58 108.812 168.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -28.71 65.44 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.68 -1.263 . . . . 0.72 113.491 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -54.27 -38.94 66.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.769 2.027 . . . . 2.66 112.496 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -79.07 -40.35 31.45 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.309 1.444 . . . . 2.4 111.273 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.65 -37.81 78.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 124.477 1.111 . . . . 0.37 111.066 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -54.23 -46.31 72.5 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.259 -0.877 . . . . 1.38 110.385 171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.48 60.45 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.143 1.338 . . . . 0.54 111.566 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.6 mt -64.5 -46.63 82.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.798 0.839 . . . . 0.67 111.732 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.53 -45.17 76.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.555 1.942 . . . . 0.41 111.779 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -56.93 -33.93 67.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.572 1.549 . . . . 2.89 112.416 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.05 -6.06 23.38 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.929 1.252 . . . . 0.55 115.497 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 HG13 ' A' ' 29' ' ' VAL . 43.2 p -81.56 5.99 16.29 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.934 1.367 . . . . 0.66 113.009 167.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.32 53.27 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 124.706 1.146 . . . . 0.64 114.431 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -147.83 176.83 9.82 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.381 1.873 . . . . 2.47 111.495 -172.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.03 151.98 29.66 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.643 1.177 . . . . 2.99 111.489 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.27 128.23 10.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.319 1.847 . . . . 0.52 112.285 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.1 t -135.78 128.42 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.81 1.644 . . . . 0.66 109.466 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 2.5 tm? -80.12 130.89 35.58 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 122.428 1.109 . . . . 2.64 111.084 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.03 -28.1 13.93 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.849 1.66 . . . . 1.43 112.717 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.03 -145.93 15.49 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 125.543 1.544 . . . . 0.48 110.434 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -126.71 169.02 13.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 122.154 0.978 . . . . 1.7 113.08 -167.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.226 0 N-CA-C 116.376 1.31 . . . . 3.35 116.376 174.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 CA-C-O 122.001 0.778 . . . . 1.94 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -113.34 161.35 17.36 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.344 1.858 . . . . 1.04 110.475 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 129.97 41.6 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.997 0.919 . . . . 2.08 110.827 -171.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.2 m -149.59 154.52 38.81 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 127.461 2.304 . . . . 1.64 109.744 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 m -84.93 126.83 33.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.248 0.619 . . . . 0.45 109.868 167.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.93 126.08 50.8 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.685 1.194 . . . . 1.72 108.731 168.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -103.86 92.89 4.61 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 2.25 110.892 -177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -100.05 148.37 24.62 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.791 -1.193 . . . . 1.67 113.198 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.28 129.81 53.56 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.62 1.568 . . . . 0.4 111.805 170.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 m -137.82 159.37 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 125.233 1.413 . . . . 0.56 111.952 -169.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -93.75 93.51 8.03 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.293 0.951 . . . . 2.84 112.574 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -156.45 142.63 18.18 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.11 1.764 . . . . 0.93 111.866 169.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -145.66 -8.05 0.57 Allowed 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 116.535 2.05 . . . . 3.29 116.535 -174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -122.1 154.44 37.36 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 120.402 1.456 . . . . 1.29 113.831 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -53.71 -26.81 24.68 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.835 2.161 . . . . 2.19 116.835 -161.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 m -66.46 -36.24 82.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.666 0.987 . . . . 1.3 113.666 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.6 m -78.97 -39.4 34.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.801 0.84 . . . . 0.74 110.819 -172.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -49.07 -51.57 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.032 2.533 . . . . 0.86 109.447 171.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.84 -40.48 95.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.129 0.972 . . . . 2.39 112.365 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.14 -39.8 78.63 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.216 -0.302 . . . . 0.53 111.508 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.43 -34.36 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 118.335 -0.84 . . . . 0.63 111.264 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.31 -38.71 69.04 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.573 1.078 . . . . 2.58 111.05 166.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -81.7 -19.71 40.98 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 115.379 1.622 . . . . 1.29 115.379 -173.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -66.06 -29.81 70.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.815 0.734 . . . . 0.93 112.364 160.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.1 mt -81.89 -24.7 35.56 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.003 -1.061 . . . . 0.58 112.943 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.07 116.42 14.68 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.97 1.367 . . . . 1.57 111.403 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.05 20.68 48.84 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 126.472 1.987 . . . . 1.02 116.236 -173.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.24 120.98 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 120.173 1.987 . . . . 1.27 110.996 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.53 116.77 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.385 0.674 . . . . 0.95 109.763 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.1 2.5 51.59 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 126.348 1.927 . . . . 0.56 114.76 -173.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.83 142.29 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.337 2.068 . . . . 1.67 111.606 173.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -99.52 -49.85 4.28 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.434 1.094 . . . . 3.73 111.559 162.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -152.34 160.08 43.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.505 1.522 . . . . 2.25 110.752 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.8 m -145.12 155.21 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 125.896 1.678 . . . . 0.89 111.288 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -144.36 132.31 21.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.729 1.212 . . . . 3.39 109.863 167.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 HG13 ' A' ' 51' ' ' VAL . 24.9 t -100.36 138.21 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.262 -0.899 . . . . 1.56 110.877 172.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -120.2 84.94 2.3 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.716 1.606 . . . . 0.76 109.999 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -36.22 54.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.421 1.889 . . . . 2.69 112.254 176.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -70.43 -19.48 62.98 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.795 1.035 . . . . 3.28 113.795 -176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.56 -7.56 16.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.38 1.072 . . . . 3.38 112.007 171.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 52.59 41.24 31.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.465 1.106 . . . . 2.61 112.566 -159.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.8 ttm -111.48 153.75 25.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.008 1.323 . . . . 0.99 112.058 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG13 HG22 ' A' ' 44' ' ' VAL . 3.1 t -135.74 131.36 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 125.177 1.391 . . . . 0.74 110.916 177.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.11 130.48 48.72 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.089 1.755 . . . . 1.0 108.982 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.0 t -132.63 106.92 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 124.166 0.987 . . . . 0.33 108.365 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -83.41 98.54 9.55 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.482 1.513 . . . . 0.51 108.522 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -151.76 153.26 33.96 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.774 1.028 . . . . 0.33 113.774 -168.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.9 p -84.02 -15.51 47.36 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.964 1.305 . . . . 0.5 112.978 172.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.6 156.85 41.08 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 125.305 1.442 . . . . 0.4 112.957 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.58 139.29 30.94 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.44 2.093 . . . . 0.68 107.837 173.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -17.26 57.84 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.529 -1.357 . . . . 0.86 112.924 -178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -46.02 84.41 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.629 1.572 . . . . 2.7 112.511 165.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -72.02 -43.46 64.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.061 1.344 . . . . 3.3 110.574 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -66.39 -38.98 82.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 C-N-CA 124.055 0.942 . . . . 0.48 110.396 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.72 -41.48 81.88 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 118.207 -0.902 . . . . 1.74 110.706 170.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.79 61.76 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.067 1.303 . . . . 0.85 111.454 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.96 -38.83 89.59 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.491 1.116 . . . . 1.14 112.381 171.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.0 -40.56 65.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.973 1.709 . . . . 0.38 111.508 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.16 -31.23 70.64 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.66 1.584 . . . . 2.26 112.865 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.02 -10.03 17.85 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.763 1.173 . . . . 0.62 114.741 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.1 p -80.34 -1.74 42.36 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.123 1.369 . . . . 0.77 112.997 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.84 19.23 48.48 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.931 1.729 . . . . 0.91 114.574 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -131.52 171.0 13.94 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.066 1.746 . . . . 2.36 112.675 -163.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.34 144.75 31.25 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.227 1.011 . . . . 2.92 110.907 163.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.23 118.96 8.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.255 2.222 . . . . 0.67 110.641 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.02 121.66 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.638 1.575 . . . . 0.54 109.929 -175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.4 tp -73.93 138.96 44.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.65 0.981 . . . . 1.2 113.65 177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.4 mmmt -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.309 1.444 . . . . 1.55 113.014 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.21 -172.91 41.67 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.111 1.338 . . . . 0.52 113.566 157.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -91.93 132.89 36.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.724 2.01 . . . . 1.51 108.979 172.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 O-C-N 121.852 -0.53 . . . . 3.78 111.912 -165.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 N-CA-C 111.631 -0.588 . . . . 2.35 111.631 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -134.88 156.44 48.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.25 1.42 . . . . 1.12 111.909 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 125.29 25.3 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.782 0.833 . . . . 2.05 110.832 -166.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -149.21 155.18 40.22 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 128.056 2.543 . . . . 1.91 109.743 -173.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -96.41 105.39 17.47 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.292 1.037 . . . . 0.7 109.596 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.64 115.23 27.31 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.742 0.817 . . . . 1.79 109.776 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -101.99 94.18 5.65 Favored 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.661 2.172 . . . . 3.23 110.606 -172.641 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -100.24 146.92 26.32 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 119.136 -2.227 . . . . 1.64 112.65 -169.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.18 125.89 44.85 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.987 1.315 . . . . 0.37 111.094 170.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -146.0 129.52 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.984 1.314 . . . . 1.46 113.931 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -81.23 106.12 12.96 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.243 1.201 . . . . 4.23 114.243 -170.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -144.77 158.81 43.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.478 1.911 . . . . 0.89 111.959 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -134.38 -23.79 1.64 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 118.527 2.788 . . . . 3.72 118.527 -167.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.06 171.87 13.86 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.35 1.887 . . . . 1.49 113.681 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -62.15 -17.11 56.91 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.444 1.646 . . . . 2.09 115.444 -168.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -82.63 -26.23 32.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.664 1.12 . . . . 1.64 113.665 173.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.0 m -77.33 -38.42 50.39 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.821 0.737 . . . . 0.79 110.651 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.41 -49.78 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 127.07 2.148 . . . . 0.95 109.228 172.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.39 -41.12 96.85 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.132 1.373 . . . . 2.37 112.377 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.65 -42.02 74.81 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.649 -0.657 . . . . 0.42 111.35 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -72.87 -37.18 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-O 117.928 -1.034 . . . . 0.55 110.912 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.77 -41.37 77.52 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.91 1.232 . . . . 2.57 111.062 168.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -77.07 -17.33 58.82 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.669 1.359 . . . . 1.05 114.669 -174.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -68.47 -26.88 65.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.761 1.164 . . . . 1.06 112.139 162.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.14 -36.51 15.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.356 1.462 . . . . 0.62 112.394 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -67.99 133.64 49.38 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.601 1.16 . . . . 2.38 111.802 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.31 5.98 87.7 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.449 1.5 . . . . 0.84 115.966 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.26 148.0 6.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 120.074 1.937 . . . . 0.95 110.682 -176.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 112.07 3.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.736 1.214 . . . . 0.97 111.036 171.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.48 10.15 45.15 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.067 0.841 . . . . 0.52 114.557 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -92.95 140.52 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 119.458 1.629 . . . . 1.7 110.827 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -107.15 -50.85 3.01 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.521 1.128 . . . . 3.43 112.228 166.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.51 162.51 40.47 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.795 1.638 . . . . 2.11 110.475 -170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -145.56 154.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.511 1.924 . . . . 0.8 109.819 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -149.68 112.45 4.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.802 -0.562 . . . . 3.67 110.364 172.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.34 134.77 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 122.626 1.203 . . . . 2.42 112.257 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -120.1 87.23 2.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.36 1.864 . . . . 0.77 110.193 170.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -56.13 -36.35 68.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.12 0.962 . . . . 2.31 111.682 171.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.42 -4.81 9.01 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.878 1.066 . . . . 2.99 113.878 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -121.09 0.08 10.1 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.086 1.354 . . . . 2.52 113.999 160.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 46.5 37.07 3.99 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.504 1.922 . . . . 3.88 112.323 -159.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.0 ttm -109.13 146.94 33.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.711 1.204 . . . . 0.9 111.653 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -134.65 121.18 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 124.306 1.042 . . . . 1.26 110.901 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.11 137.93 32.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.135 1.374 . . . . 1.22 109.091 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.03 106.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.977 1.311 . . . . 0.39 108.526 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -84.46 99.19 10.52 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.583 1.153 . . . . 0.69 109.649 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 t -151.21 152.42 33.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -166.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.9 p -81.44 -9.43 59.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.411 1.484 . . . . 0.84 113.154 168.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.02 146.43 97.28 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.096 0.958 . . . . 1.09 111.207 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.61 141.92 39.0 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.633 2.222 . . . . 0.5 108.728 170.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -57.42 -20.48 30.34 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.993 1.108 . . . . 0.84 113.993 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -63.26 -31.1 72.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.205 1.002 . . . . 2.73 112.916 171.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.68 -45.3 15.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.862 0.755 . . . . 4.4 111.425 168.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -65.06 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 O-C-N 121.448 -0.782 . . . . 0.41 110.218 -172.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -52.27 -43.92 64.67 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.654 1.182 . . . . 1.91 111.242 167.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 -31.04 60.97 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.119 0.568 . . . . 0.53 111.944 -178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 mt -74.32 -37.49 63.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.333 1.853 . . . . 0.79 112.093 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.2 mt -66.34 -42.14 88.56 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.983 2.113 . . . . 0.51 111.076 165.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.23 -23.94 67.65 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.145 -1.597 . . . . 2.69 113.311 170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.84 -8.38 40.88 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 126.453 1.978 . . . . 0.58 115.032 166.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.1 p -92.53 2.39 56.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.831 1.653 . . . . 0.81 111.987 170.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.88 14.28 72.99 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 126.23 1.871 . . . . 1.23 115.633 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -126.35 148.63 49.53 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.549 1.94 . . . . 2.38 110.878 -165.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 136.93 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.682 0.793 . . . . 4.35 109.663 167.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -131.17 124.04 29.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.389 1.476 . . . . 0.75 110.412 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.1 123.07 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.834 1.254 . . . . 0.79 108.413 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 76' ' ' LYS . 9.9 tp -78.48 135.99 37.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.266 -0.896 . . . . 1.23 112.439 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' H ' HD12 ' A' ' 75' ' ' LEU . 13.2 mmmm -102.48 -34.82 8.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.745 -1.116 . . . . 1.67 112.726 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.57 -157.51 30.0 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 123.56 0.6 . . . . 0.64 113.789 160.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -120.85 122.54 40.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.606 1.962 . . . . 1.55 111.607 -168.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 C-N-CA 125.666 1.603 . . . . 3.11 115.225 171.398 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.498 -0.241 . . . . 3.56 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.333 5.9 t 52.98 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 129.504 3.121 . . . . 1.21 115.271 -163.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 131.65 42.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.883 0.873 . . . . 1.99 110.701 -164.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -154.4 156.71 37.33 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.248 2.619 . . . . 2.0 109.127 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -78.67 143.98 35.79 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.294 -0.879 . . . . 0.94 111.372 168.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -119.52 146.87 45.08 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.328 1.851 . . . . 2.48 110.733 162.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -137.38 79.16 1.73 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 126.178 2.894 . . . . 3.69 111.332 -158.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -93.05 149.0 21.52 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 112.232 -2.258 . . . . 2.41 112.235 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.95 145.18 25.63 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.474 1.909 . . . . 0.39 110.711 165.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.45 158.13 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.144 0.978 . . . . 0.62 112.827 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -90.37 89.9 7.8 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.805 -0.56 . . . . 3.09 110.909 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -144.94 154.29 42.43 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.495 1.118 . . . . 0.67 111.667 162.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -135.68 -20.41 1.55 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.733 1.613 . . . . 3.12 113.515 -165.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.09 159.86 32.93 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.754 1.222 . . . . 1.04 113.429 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.68 -18.12 63.65 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.471 1.508 . . . . 3.14 114.606 -170.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 m -79.95 -25.03 40.6 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.1 1.36 . . . . 1.19 114.324 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.7 m -76.18 -41.93 48.06 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 118.976 0.807 . . . . 0.81 109.983 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -48.54 -53.67 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 128.494 2.717 . . . . 0.74 111.296 172.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -53.53 -39.05 64.37 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.448 1.899 . . . . 2.72 111.77 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.24 -41.63 24.73 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 118.761 -0.638 . . . . 0.61 112.678 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' CYS . 2.1 t -63.57 -43.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 CA-C-N 119.371 0.987 . . . . 0.88 109.577 174.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -54.28 -39.11 66.61 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.868 1.267 . . . . 2.94 111.675 175.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.268 88.1 mttt -87.61 -19.5 27.69 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.504 1.668 . . . . 1.42 115.504 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -68.74 -33.78 74.5 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.831 -0.543 . . . . 1.19 111.705 159.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.51 -37.59 50.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.74 113.286 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -66.05 129.18 38.9 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.344 1.058 . . . . 1.41 111.166 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 16.9 73.59 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.927 1.251 . . . . 0.8 115.895 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.79 129.72 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.523 2.162 . . . . 0.84 109.782 173.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.39 113.73 4.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.943 0.897 . . . . 0.92 110.506 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.62 6.92 52.18 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.279 0.942 . . . . 0.62 114.199 -174.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.89 141.15 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 118.885 1.342 . . . . 1.54 109.846 165.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -106.82 -37.89 6.24 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.671 1.188 . . . . 3.19 112.677 167.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.68 171.31 17.06 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.684 1.231 . . . . 2.93 111.176 178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 m -143.37 152.46 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 126.454 1.901 . . . . 0.85 110.18 173.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -138.8 114.95 10.26 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.655 -1.239 . . . . 3.44 107.655 174.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 51' ' ' VAL . 40.5 t -115.05 121.65 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.962 0.905 . . . . 2.32 109.929 -165.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -121.79 83.06 2.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.405 1.882 . . . . 0.83 110.972 -167.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -32.77 60.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 122.624 1.202 . . . . 2.25 111.575 163.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.87 -0.04 12.41 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.175 1.39 . . . . 3.13 114.304 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -1.53 7.81 Favored 'General case' 0 CA--C 1.557 1.219 0 O-C-N 120.609 -1.307 . . . . 1.97 113.1 155.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.33 37.66 4.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.993 2.117 . . . . 2.74 113.492 -154.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.5 ttm -106.49 151.78 24.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.157 1.783 . . . . 1.2 112.098 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 44' ' ' VAL . 1.5 t -130.63 108.21 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 126.237 1.815 . . . . 0.74 107.777 172.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.07 139.2 30.81 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.473 -0.936 . . . . 2.43 108.473 168.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.41 105.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.346 1.458 . . . . 0.23 109.686 -176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.47 99.9 8.25 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.006 1.323 . . . . 0.56 110.051 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 t -151.82 158.04 42.75 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.101 1.519 . . . . 0.31 115.101 -168.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -85.35 -3.07 58.72 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.198 1.399 . . . . 0.45 113.647 168.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.63 151.47 74.3 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.19 -0.944 . . . . 0.59 111.835 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -85.22 150.49 10.63 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.754 2.97 . . . . 0.9 110.143 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 p -59.28 -25.04 63.76 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.177 -1.577 . . . . 1.21 114.858 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.25 -28.46 68.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.135 0.88 . . . . 2.66 112.852 170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -87.55 -47.11 8.98 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.923 1.689 . . . . 2.52 110.969 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.54 -35.79 71.89 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-O 118.191 -0.909 . . . . 0.51 111.185 -174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -52.92 -48.49 67.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.687 1.131 . . . . 1.61 110.974 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.88 56.8 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.756 0.422 . . . . 0.67 111.497 -176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 mt -69.86 -39.66 76.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.011 0.924 . . . . 0.83 112.74 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.65 -45.76 67.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.059 1.743 . . . . 0.39 111.27 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -55.01 -36.37 65.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.879 1.672 . . . . 2.99 112.638 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.45 -16.55 44.06 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.816 1.198 . . . . 0.7 115.081 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -73.4 -4.35 33.0 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.071 -1.252 . . . . 0.72 112.978 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.27 23.73 23.75 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.37 0.986 . . . . 0.75 114.956 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -146.05 166.61 25.61 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 127.615 2.366 . . . . 3.35 110.286 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.95 144.76 43.06 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.021 0.439 . . . . 3.07 111.543 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.95 132.32 50.87 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.38 2.272 . . . . 0.49 110.861 168.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.44 125.08 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.837 2.055 . . . . 0.9 108.417 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 76' ' ' LYS . 14.3 tp -80.12 140.62 36.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.068 -1.02 . . . . 1.18 113.212 -177.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' H ' HD12 ' A' ' 75' ' ' LEU . 31.2 mmmt -107.67 -32.27 7.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.344 1.058 . . . . 1.52 113.7 177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' HD11 ' A' ' 75' ' ' LEU . . . 177.93 -143.64 6.15 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 115.975 1.15 . . . . 1.2 115.975 164.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.2 mtt -137.0 132.71 34.66 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.117 2.167 . . . . 1.75 111.431 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 C-N-CA 124.157 0.884 . . . . 3.83 113.325 -168.678 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.708 0 CA-C-O 119.353 -0.693 . . . . 3.46 113.377 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.329 6.2 t 56.92 150.71 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 130.016 3.326 . . . . 1.06 116.82 -177.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 40' ' ' GLN . 4.5 mt -69.81 130.42 42.23 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 115.031 1.493 . . . . 2.99 115.031 -162.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.0 p -143.81 157.59 44.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.313 2.245 . . . . 3.69 110.64 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 m -93.39 139.03 31.14 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.337 -0.616 . . . . 0.67 109.337 163.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 mt -123.12 137.94 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.721 1.208 . . . . 2.42 111.539 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -124.99 90.68 3.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.907 1.283 . . . . 2.32 112.367 -164.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 75' ' ' LEU . 77.0 m-85 -101.1 143.18 31.53 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.167 -0.958 . . . . 1.63 113.153 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.69 140.96 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.771 0.828 . . . . 0.37 111.3 163.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.55 154.84 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 125.135 1.374 . . . . 0.64 113.256 -173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -86.02 98.11 10.65 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.299 -0.876 . . . . 5.04 112.833 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -146.1 161.74 39.49 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 113.901 1.074 . . . . 1.04 113.901 168.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.5 p -137.8 -20.82 1.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.521 2.415 . . . . 3.73 117.521 -163.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.07 171.25 14.58 Favored 'General case' 0 CA--C 1.557 1.213 0 CA-C-N 121.049 1.749 . . . . 2.05 114.174 168.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -57.66 -18.13 18.71 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.653 1.723 . . . . 2.55 115.653 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m -85.11 -18.89 32.88 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.524 1.305 . . . . 2.19 114.524 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.1 m -80.64 -36.82 32.04 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 118.832 0.742 . . . . 1.05 110.801 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -50.95 -51.32 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.976 2.51 . . . . 0.98 108.952 169.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.15 -37.76 81.07 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.131 1.372 . . . . 2.23 112.788 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.72 39.3 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.85 0.46 . . . . 0.45 110.864 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.96 -26.46 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 O-C-N 121.47 -0.769 . . . . 0.97 111.472 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -59.54 -44.81 93.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.474 1.033 . . . . 2.86 111.575 164.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . 0.267 75.8 mttt -80.04 -17.08 53.71 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.153 1.538 . . . . 1.42 115.153 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -64.39 -23.96 67.47 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.267 0.84 . . . . 1.13 113.267 159.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -99.14 -37.88 9.15 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.871 1.669 . . . . 0.97 113.14 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.26 116.73 18.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.953 1.301 . . . . 2.06 110.601 -164.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.04 11.44 73.12 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.163 0.887 . . . . 0.76 114.824 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.71 131.14 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.448 1.624 . . . . 1.03 109.39 168.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.18 111.19 0.72 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.7 1.2 . . . . 0.89 112.163 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.99 1.57 48.68 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.184 1.85 . . . . 0.54 115.791 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -103.12 127.59 56.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 119.808 1.804 . . . . 1.99 109.807 172.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HG3' HD11 ' A' ' 11' ' ' LEU . 44.7 mm-40 -108.37 -38.01 5.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.034 1.734 . . . . 3.37 114.769 -171.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -148.88 164.36 34.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.389 1.876 . . . . 2.52 110.351 168.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.08 150.42 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 126.595 1.958 . . . . 0.85 110.157 169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.16 118.58 9.66 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 107.66 -1.237 . . . . 3.1 107.66 174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.608 HG22 HG13 ' A' ' 51' ' ' VAL . 34.4 t -124.99 124.75 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 120.845 -1.159 . . . . 2.26 111.192 -162.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -120.69 82.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.818 1.647 . . . . 0.8 110.56 -163.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -55.98 -32.79 64.23 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.478 1.132 . . . . 2.3 111.478 169.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.96 -6.71 35.0 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.06 1.133 . . . . 4.08 114.06 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.87 3.76 10.54 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.213 1.405 . . . . 2.03 113.124 160.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 49.61 34.18 6.83 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.745 2.018 . . . . 2.82 113.031 -163.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 ttm -113.55 157.91 21.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.878 1.671 . . . . 0.87 113.206 -171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.608 HG13 HG22 ' A' ' 44' ' ' VAL . 1.7 t -134.87 125.52 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 126.264 1.826 . . . . 0.73 109.81 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.18 136.38 42.1 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.626 1.171 . . . . 0.95 110.421 169.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.95 107.88 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.976 1.311 . . . . 0.28 107.844 -177.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -85.23 105.17 15.72 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.949 1.3 . . . . 0.56 109.412 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 t -153.46 157.54 40.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.869 1.433 . . . . 0.65 114.869 -164.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.3 p -88.33 -2.81 58.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.813 1.412 . . . . 0.68 114.813 164.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.1 mt -74.27 155.76 87.78 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.189 1.396 . . . . 0.59 113.046 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.25 146.5 31.87 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.438 2.759 . . . . 0.52 110.238 171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -26.92 66.06 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.569 -1.332 . . . . 0.65 113.598 177.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.8 -33.51 64.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.113 1.365 . . . . 2.56 112.552 170.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -85.16 -44.13 13.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.448 1.499 . . . . 2.57 111.514 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.15 -38.45 81.15 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 C-N-CA 124.426 1.09 . . . . 0.4 110.78 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -55.1 -44.96 75.39 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.18 -0.914 . . . . 1.27 111.239 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.44 56.48 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.209 1.368 . . . . 0.55 111.773 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.2 mt -69.54 -40.19 77.01 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.132 0.973 . . . . 0.7 112.546 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -69.81 -46.29 66.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.22 1.808 . . . . 0.47 111.515 172.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -60.55 -33.47 72.74 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.833 1.653 . . . . 2.94 112.628 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.65 -3.95 8.84 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.411 1.481 . . . . 0.64 115.209 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 p -83.61 -4.31 58.47 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.374 1.47 . . . . 0.95 112.434 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.74 18.94 62.58 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.028 1.299 . . . . 0.9 113.917 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -129.83 152.99 48.71 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 126.567 1.947 . . . . 2.62 110.364 -171.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -62.79 139.3 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.952 0.882 . . . . 2.86 111.188 168.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.42 126.77 24.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.491 2.316 . . . . 0.65 109.066 175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -133.64 118.05 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.828 1.651 . . . . 0.75 107.935 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' LYS . 8.0 tp -67.93 142.18 56.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.703 0.763 . . . . 1.16 112.353 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 40.0 mmtt -103.94 -38.12 7.12 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.05 0.94 . . . . 1.6 113.116 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.36 -171.7 43.21 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.475 1.512 . . . . 0.53 111.999 167.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -82.93 141.92 31.8 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.678 1.191 . . . . 1.22 109.793 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.166 1.365 . . . . 2.21 115.54 -170.229 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_